1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C24H27N3O3S2 — CID 46390118

IUPAC1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O3S2/c28-23(25-14-11-22-17-31-24(26-22)21-9-5-2-6-10-21)20-12-15-27(16-13-20)32(29,30)18-19-7-3-1-4-8-19/h1-10,17,20H,11-16,18H2,(H,25,28)
InChIKeyBNUBCXLBEZJXIZ-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.71
Rot. Bonds8

About 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46390118) has the molecular formula C24H27N3O3S2 and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46390118
Molecular FormulaC24H27N3O3S2
Molecular Weight469.63 g/mol
Exact Mass469.15
IUPAC Name1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H27N3O3S2/c28-23(25-14-11-22-17-31-24(26-22)21-9-5-2-6-10-21)20-12-15-27(16-13-20)32(29,30)18-19-7-3-1-4-8-19/h1-10,17,20H,11-16,18H2,(H,25,28)
InChIKeyBNUBCXLBEZJXIZ-UHFFFAOYSA-N
XLogP3.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-(4-propylphenyl)sulfonylpiperidine-4-carboxamide
CID 46390108
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
1-(benzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554371
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 30391483
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 7518407
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601532
(2R)-1-(3-phenylpropanoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831558
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 46390118) is 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is BNUBCXLBEZJXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S2/c28-23(25-14-11-22-17-31-24(26-22)21-9-5-2-6-10-21)20-12-15-27(16-13-20)32(29,30)18-19-7-3-1-4-8-19/h1-10,17,20H,11-16,18H2,(H,25,28).
What are the key properties of 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?
1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 469.63 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46390118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).