N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C19H18ClN3O3S3 — CID 2532699

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H18ClN3O3S3/c20-15-5-2-1-4-14(15)16-12-28-19(21-16)22-18(24)13-7-9-23(10-8-13)29(25,26)17-6-3-11-27-17/h1-6,11-13H,7-10H2,(H,21,22,24)
InChIKeyWXQABVKTJGAQSM-UHFFFAOYSA-N
MW468.03 g/mol
LogP4.56
Rot. Bonds5

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2532699) has the molecular formula C19H18ClN3O3S3 and a molecular weight of 468.03 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2532699
Molecular FormulaC19H18ClN3O3S3
Molecular Weight468.03 g/mol
Exact Mass467.02
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C19H18ClN3O3S3/c20-15-5-2-1-4-14(15)16-12-28-19(21-16)22-18(24)13-7-9-23(10-8-13)29(25,26)17-6-3-11-27-17/h1-6,11-13H,7-10H2,(H,21,22,24)
InChIKeyWXQABVKTJGAQSM-UHFFFAOYSA-N
XLogP4.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.03
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-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

1-(5-chlorothiophen-2-yl)sulfonyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16830608
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16803635
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2403600
N-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 25187969
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830556
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 16826333
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015753
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2532699) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is WXQABVKTJGAQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S3/c20-15-5-2-1-4-14(15)16-12-28-19(21-16)22-18(24)13-7-9-23(10-8-13)29(25,26)17-6-3-11-27-17/h1-6,11-13H,7-10H2,(H,21,22,24).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 468.03 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2532699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).