4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide

C18H17ClN2O3S2 — CID 47516911

IUPAC4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClN2O3S2/c1-11(12-3-5-13(6-4-12)26(2,23)24)21-18(22)15-10-20-9-14(15)16-7-8-17(19)25-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyWCTTZWNOWLHWBD-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.29
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide

4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 47516911) has the molecular formula C18H17ClN2O3S2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID47516911
Molecular FormulaC18H17ClN2O3S2
Molecular Weight408.93 g/mol
Exact Mass408.04
IUPAC Name4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClN2O3S2/c1-11(12-3-5-13(6-4-12)26(2,23)24)21-18(22)15-10-20-9-14(15)16-7-8-17(19)25-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyWCTTZWNOWLHWBD-UHFFFAOYSA-N
XLogP4.29
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-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

5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
CID 95151810
(2R)-2-[[4-(5-chlorothiophen-2-yl)-1H-pyrrole-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363106
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide (CID 47516911) is 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide is CC(NC(=O)c1c[nH]cc1-c1ccc(Cl)s1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is WCTTZWNOWLHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S2/c1-11(12-3-5-13(6-4-12)26(2,23)24)21-18(22)15-10-20-9-14(15)16-7-8-17(19)25-16/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).