N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
Basic information
- CAS
851473-45-5- Standard SMILES
Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1- InChIKey
RWKHYFNYOJGXNK-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O2S
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.0964758
Names & identifiers
- Preferred name
- N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
- IUPAC
- N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
Names & synonyms
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamideN-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methylthiophene-2-carboxamideMLS002252469CHEMBL2362175DTXSID101322529HMS3092B20AKOS034183622851473-45-5SMR001314814Z32394479
Database identifiers
- CAS
851473-45-5- PubChem CID
- 4882933
- DTXSID
DTXSID101322529- ChEMBL
CHEMBL2362175
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Solubility2.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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