Methyl 4-[2-(4-{[(2-{[3-(cyclopropylsulfamoyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate

HCID 71238739

Basic information

Standard SMILES
COC(=O)c1ccc(CCc2ccc(NC(=O)c3c(NC(=O)c4cccc(S(=O)(=O)NC5CC5)c4)sc4c3CCCC4)cc2)cc1
InChIKey
RVQFOSNSXAIQTO-UHFFFAOYSA-N
Molecular formula
C35H35N3O6S2
Average molar mass
657.8 g/mol

Names & identifiers

Preferred name
Methyl 4-[2-(4-{[(2-{[3-(cyclopropylsulfamoyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate
IUPAC
methyl 4-[2-[4-[[2-[[3-(cyclopropylsulfamoyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]phenyl]ethyl]benzoate

Names & synonyms

SCHEMBL14660020RVQFOSNSXAIQTO-UHFFFAOYSA-Nmethyl 4-[2-(4-{[(2-{[3-(cyclopropylsulfamoyl)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}phenyl)ethyl]benzoate

Database identifiers

PubChem CID
71238739

Properties

Computed structural properties

XLogP
7
Topological polar surface area
167 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
46

Related reactions

6 records

Compound notes

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