Basic information
- CAS
107786-74-3- Standard SMILES
COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cc1csc2ccc(NC(=O)OC3CCCC3)cc12- InChIKey
MGMIPHDTLAASLA-UHFFFAOYSA-N- Molecular formula
- C29H28N2O6S2
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.13887896
Overview
structure & RN in first source; leukotriene D4 antagonist
Names & identifiers
- Preferred name
- N-(4-((5-(((cyclopentyloxy)carbonyl)amino)benzo(b)thien-3-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide
- IUPAC
- cyclopentyl N-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-1-benzothiophen-5-yl]carbamate
- English name
- N-(4-((5-(((Cyclopentyloxy)carbonyl)amino)benzo(b)thien-3-yl)methyl)-3 -methoxybenzoyl)benzenesulfonamide
- Molecular formula
- C29H28N2O6S2
- Molecular weight
- 564.67
Names & synonyms
5-Cpcab107786-74-3DTXSID70148241N-(4-((5-(((Cyclopentyloxy)carbonyl)amino)benzo(b)thien-3-yl)methyl)-3-methoxybenzoyl)benzenesulfonamideRefChem:162020DTXCID0070732CHEMBL90003SCHEMBL4458191Cyclopentyl [3-({4-[(benzenesulfonyl)carbamoyl]-2-methoxyphenyl}methyl)-1-benzothiophen-5-yl]carbamateN-(4-((5-(((Cyclopentyloxy)carbonyl)amino)benzo(b)thien-3-yl)methyl)-3 -methoxybenzoyl)benzenesulfonamideCarbamic acid, [3-[[2-methoxy-4-[[(phenylsulfonyl)amino]carbonyl]phenyl]methyl]benzo[b]thien-5-yl]-, cyclopentyl ester (9CI)
Database identifiers
- CAS
107786-74-3- PubChem CID
- 147131
- DTXSID
DTXSID70148241- ChEMBL
CHEMBL90003- Nikkaji
- J341.954A
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 944
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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