1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide

C22H23N3O3S2 — CID 26176459

IUPAC1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)n1
InChIInChI=1S/C22H23N3O3S2/c1-17-16-29-22(23-17)25(19-8-4-2-5-9-19)21(26)18-12-14-24(15-13-18)30(27,28)20-10-6-3-7-11-20/h2-11,16,18H,12-15H2,1H3
InChIKeyAXBREGBFUTYFQV-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.22
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 26176459) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID26176459
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)n1
InChIInChI=1S/C22H23N3O3S2/c1-17-16-29-22(23-17)25(19-8-4-2-5-9-19)21(26)18-12-14-24(15-13-18)30(27,28)20-10-6-3-7-11-20/h2-11,16,18H,12-15H2,1H3
InChIKeyAXBREGBFUTYFQV-UHFFFAOYSA-N
XLogP4.22
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 30846281
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 38906012
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 26176493
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbenzamide
CID 42993227
1-(benzenesulfonyl)-N-(4-chlorophenyl)-N-[(4S)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 40942717
(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25492097
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529709
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide (CID 26176459) is 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide is Cc1csc(N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is AXBREGBFUTYFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-17-16-29-22(23-17)25(19-8-4-2-5-9-19)21(26)18-12-14-24(15-13-18)30(27,28)20-10-6-3-7-11-20/h2-11,16,18H,12-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 26176459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).