5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide

C19H16ClNO3S2 — CID 53124370

IUPAC5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C19H16ClNO3S2/c20-15-8-6-14(7-9-15)12-13-21-19(22)17-10-11-18(25-17)26(23,24)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,22)
InChIKeyMMNZWFSQESFGGT-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.21
Rot. Bonds6

About 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide

5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide (PubChem CID 53124370) has the molecular formula C19H16ClNO3S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
PubChem CID53124370
Molecular FormulaC19H16ClNO3S2
Molecular Weight405.93 g/mol
Exact Mass405.03
IUPAC Name5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C19H16ClNO3S2/c20-15-8-6-14(7-9-15)12-13-21-19(22)17-10-11-18(25-17)26(23,24)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,22)
InChIKeyMMNZWFSQESFGGT-UHFFFAOYSA-N
XLogP4.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 53124526
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119640113
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
1-[[4-(4-chlorophenyl)sulfonylbenzoyl]amino]-3-(2-phenylethyl)thiourea
CID 11145179
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide
CID 20947616
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154116463

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide (CID 53124370) is 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is MMNZWFSQESFGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3S2/c20-15-8-6-14(7-9-15)12-13-21-19(22)17-10-11-18(25-17)26(23,24)16-4-2-1-3-5-16/h1-11H,12-13H2,(H,21,22).
What are the key properties of 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide?
5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 405.93 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 53124370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).