(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide

C22H24ClN3O3S2 — CID 6598959

IUPAC(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESC[C@H]1CSC(N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(18-12-10-17(23)11-13-18)21(27)20-9-5-6-14-25(20)31(28,29)19-7-3-2-4-8-19/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3/t16-,20+/m0/s1
InChIKeyMVQJABNWLDJLJC-OXJNMPFZSA-N
MW478.04 g/mol
LogP4.41
Rot. Bonds4

About (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide (PubChem CID 6598959) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide
PubChem CID6598959
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide
SMILESC[C@H]1CSC(N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(18-12-10-17(23)11-13-18)21(27)20-9-5-6-14-25(20)31(28,29)19-7-3-2-4-8-19/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3/t16-,20+/m0/s1
InChIKeyMVQJABNWLDJLJC-OXJNMPFZSA-N
XLogP4.41
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 40942717
(2S)-1-(4-chlorophenyl)sulfonyl-N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 2320261
(4-chlorophenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate
CID 18281212
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317
1-(benzenesulfonyl)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112790162
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706
1-(benzenesulfonyl)-2-(1-phenylethenyl)piperidine
CID 165347800
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721
3-[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]-methylamino]propanoic acid
CID 119232881

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide (CID 6598959) is (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide is C[C@H]1CSC(N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide?
The InChIKey is MVQJABNWLDJLJC-OXJNMPFZSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(18-12-10-17(23)11-13-18)21(27)20-9-5-6-14-25(20)31(28,29)19-7-3-2-4-8-19/h2-4,7-8,10-13,16,20H,5-6,9,14-15H2,1H3/t16-,20+/m0/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 6598959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).