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

C22H24ClN3O3S2 — CID 40942717

IUPAC1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESC[C@H]1CSC(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(19-9-7-18(23)8-10-19)21(27)17-11-13-25(14-12-17)31(28,29)20-5-3-2-4-6-20/h2-10,16-17H,11-15H2,1H3/t16-/m0/s1
InChIKeyUIMYNBGYZKDELD-INIZCTEOSA-N
MW478.04 g/mol
LogP4.27
Rot. Bonds4

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

1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 40942717) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID40942717
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESC[C@H]1CSC(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)=N1
InChIInChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(19-9-7-18(23)8-10-19)21(27)17-11-13-25(14-12-17)31(28,29)20-5-3-2-4-6-20/h2-10,16-17H,11-15H2,1H3/t16-/m0/s1
InChIKeyUIMYNBGYZKDELD-INIZCTEOSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 6598959
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 26176459
1-(benzenesulfonyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 27795592
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 27740023
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 36515812
4-(4-chlorophenyl)sulfonyl-N,N-diphenylpiperazine-1-carboxamide
CID 991664

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 40942717) is 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide is C[C@H]1CSC(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccc(Cl)cc2)=N1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is UIMYNBGYZKDELD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-16-15-30-22(24-16)26(19-9-7-18(23)8-10-19)21(27)17-11-13-25(14-12-17)31(28,29)20-5-3-2-4-6-20/h2-10,16-17H,11-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 478.04 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 40942717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).