N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide

C21H25N3O4S — CID 46634722

IUPACN-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4S/c1-23(16-20(25)22-18-8-4-2-5-9-18)21(26)17-12-14-24(15-13-17)29(27,28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,25)
InChIKeyKGWMSIGEIWDSGO-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.18
Rot. Bonds6

About N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide

N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 46634722) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
PubChem CID46634722
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O4S/c1-23(16-20(25)22-18-8-4-2-5-9-18)21(26)17-12-14-24(15-13-17)29(27,28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,25)
InChIKeyKGWMSIGEIWDSGO-UHFFFAOYSA-N
XLogP2.18
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-anilino-2-oxoethyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46634672
N-(2-anilino-2-oxoethyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 46418466
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330546
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 55690567
1-(3,4-difluorophenyl)sulfonyl-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55330819
N-(2-anilino-2-oxoethyl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46415089
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-(2-anilino-2-oxoethyl)-N-methyl-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55637487
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide (CID 46634722) is N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide is CN(CC(=O)Nc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KGWMSIGEIWDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-23(16-20(25)22-18-8-4-2-5-9-18)21(26)17-12-14-24(15-13-17)29(27,28)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,25).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide?
N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-(benzenesulfonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46634722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).