1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

C22H26ClN3O4S — CID 55690567

IUPAC1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-25(15-21(27)24-20-10-6-5-9-19(20)23)22(28)18-11-13-26(14-12-18)31(29,30)16-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,24,27)
InChIKeyUBICHCHSBVWQEC-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.98
Rot. Bonds7

About 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide

1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55690567) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
PubChem CID55690567
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O4S/c1-25(15-21(27)24-20-10-6-5-9-19(20)23)22(28)18-11-13-26(14-12-18)31(29,30)16-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,24,27)
InChIKeyUBICHCHSBVWQEC-UHFFFAOYSA-N
XLogP2.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
CID 28633931
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
CID 46634722
1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330546
1-(3,4-difluorophenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330819
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
1-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 99956036
N-[(4-chlorophenyl)methyl]-1-[(3-chlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92680220
N-(2-anilino-2-oxoethyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46418466

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide (CID 55690567) is 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is UBICHCHSBVWQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-25(15-21(27)24-20-10-6-5-9-19(20)23)22(28)18-11-13-26(14-12-18)31(29,30)16-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,24,27).
What are the key properties of 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide?
1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55690567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).