(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

C24H27N3O4S2 — CID 125046922

IUPAC(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-31-21-9-11-22(12-10-21)33(29,30)27-13-5-7-19(15-27)24(28)26-20-8-4-6-18(14-20)23-16-32-17(2)25-23/h4,6,8-12,14,16,19H,3,5,7,13,15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyVLBCLFKSYDKJJW-IBGZPJMESA-N
MW485.63 g/mol
LogP4.56
Rot. Bonds7

About (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide

(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 125046922) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID125046922
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC Name(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)cc1
InChIInChI=1S/C24H27N3O4S2/c1-3-31-21-9-11-22(12-10-21)33(29,30)27-13-5-7-19(15-27)24(28)26-20-8-4-6-18(14-20)23-16-32-17(2)25-23/h4,6,8-12,14,16,19H,3,5,7,13,15H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyVLBCLFKSYDKJJW-IBGZPJMESA-N
XLogP4.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.56
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
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641452
(3S)-N-(3-cyanophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125047723
1-(3,4-dimethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 100795659
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 41302469
1-(4-ethoxyphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 2986012
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336
N-(3-cyanophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 51219116
1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16829147
(3S)-N-(4-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895899
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55365291

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide (CID 125046922) is (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(-c4csc(C)n4)c3)C2)cc1.
What is the InChIKey of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is VLBCLFKSYDKJJW-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-3-31-21-9-11-22(12-10-21)33(29,30)27-13-5-7-19(15-27)24(28)26-20-8-4-6-18(14-20)23-16-32-17(2)25-23/h4,6,8-12,14,16,19H,3,5,7,13,15H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide?
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxyphenyl)sulfonyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 125046922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).