N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C21H23N3O3S3 — CID 24641452

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)s1
InChIInChI=1S/C21H23N3O3S3/c1-14-8-9-20(29-14)30(26,27)24-10-4-6-17(12-24)21(25)23-18-7-3-5-16(11-18)19-13-28-15(2)22-19/h3,5,7-9,11,13,17H,4,6,10,12H2,1-2H3,(H,23,25)
InChIKeyLMFPVIMKHFTQJS-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.53
Rot. Bonds5

About N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 24641452) has the molecular formula C21H23N3O3S3 and a molecular weight of 461.63 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID24641452
Molecular FormulaC21H23N3O3S3
Molecular Weight461.63 g/mol
Exact Mass461.09
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)s1
InChIInChI=1S/C21H23N3O3S3/c1-14-8-9-20(29-14)30(26,27)24-10-4-6-17(12-24)21(25)23-18-7-3-5-16(11-18)19-13-28-15(2)22-19/h3,5,7-9,11,13,17H,4,6,10,12H2,1-2H3,(H,23,25)
InChIKeyLMFPVIMKHFTQJS-UHFFFAOYSA-N
XLogP4.53
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795995
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 125046922
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643295
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 43707323
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
N-(4-methyl-3-nitrophenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641393
1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 100795659
(1S)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 9166489
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643649

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 24641452) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)s1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is LMFPVIMKHFTQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S3/c1-14-8-9-20(29-14)30(26,27)24-10-4-6-17(12-24)21(25)23-18-7-3-5-16(11-18)19-13-28-15(2)22-19/h3,5,7-9,11,13,17H,4,6,10,12H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 461.63 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 24641452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).