3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide

C22H22ClN3O3S2 — CID 53076938

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H22ClN3O3S2/c1-16-5-4-6-17(15-16)24-22(27)21-20(9-14-30-21)31(28,29)26-12-10-25(11-13-26)19-8-3-2-7-18(19)23/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyPKCXHDJHOLIXQB-UHFFFAOYSA-N
MW476.02 g/mol
LogP4.47
Rot. Bonds5

About 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide

3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 53076938) has the molecular formula C22H22ClN3O3S2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID53076938
Molecular FormulaC22H22ClN3O3S2
Molecular Weight476.02 g/mol
Exact Mass475.08
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1
InChIInChI=1S/C22H22ClN3O3S2/c1-16-5-4-6-17(15-16)24-22(27)21-20(9-14-30-21)31(28,29)26-12-10-25(11-13-26)19-8-3-2-7-18(19)23/h2-9,14-15H,10-13H2,1H3,(H,24,27)
InChIKeyPKCXHDJHOLIXQB-UHFFFAOYSA-N
XLogP4.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.02
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)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

3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 53076940
N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076852
N-(3,4-dimethylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076832
N-(3-cyanophenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076838
methyl 4-[[3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carbonyl]amino]benzoate
CID 50928521
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 53076837
N-(3,4-dimethoxyphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 27375353
3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076897
N-butyl-3-[4-(3-methylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076901
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 27373993
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide (CID 53076938) is 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide is Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is PKCXHDJHOLIXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S2/c1-16-5-4-6-17(15-16)24-22(27)21-20(9-14-30-21)31(28,29)26-12-10-25(11-13-26)19-8-3-2-7-18(19)23/h2-9,14-15H,10-13H2,1H3,(H,24,27).
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide?
3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 53076938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).