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

C23H25N3O3S2 — CID 38906012

IUPAC1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccccc2)n1
InChIInChI=1S/C23H25N3O3S2/c1-18-16-30-23(24-18)26(21-10-6-3-7-11-21)22(27)20-12-14-25(15-13-20)31(28,29)17-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17H2,1H3
InChIKeyNLBGIKZJAAAABV-UHFFFAOYSA-N
MW455.61 g/mol
LogP4.36
Rot. Bonds6

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

1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 38906012) has the molecular formula C23H25N3O3S2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID38906012
Molecular FormulaC23H25N3O3S2
Molecular Weight455.61 g/mol
Exact Mass455.13
IUPAC Name1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
SMILESCc1csc(N(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccccc2)n1
InChIInChI=1S/C23H25N3O3S2/c1-18-16-30-23(24-18)26(21-10-6-3-7-11-21)22(27)20-12-14-25(15-13-20)31(28,29)17-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17H2,1H3
InChIKeyNLBGIKZJAAAABV-UHFFFAOYSA-N
XLogP4.36
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 26176459
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-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-1-propanoylpiperidine-3-carboxamide
CID 60529728
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 55611555
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
CID 55689168
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 26176493
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-N-phenyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529709
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxylic acid
CID 91671442

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide (CID 38906012) is 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide is Cc1csc(N(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)c2ccccc2)n1.
What is the InChIKey of 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is NLBGIKZJAAAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S2/c1-18-16-30-23(24-18)26(21-10-6-3-7-11-21)22(27)20-12-14-25(15-13-20)31(28,29)17-19-8-4-2-5-9-19/h2-11,16,20H,12-15,17H2,1H3.
What are the key properties of 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide?
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 455.61 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 38906012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).