1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C23H29N3O4S — CID 32870346

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-16-7-8-21(13-17(16)2)31(29,30)26-11-9-19(10-12-26)23(28)25-15-18-5-4-6-20(14-18)22(27)24-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXOWKBPWVWKJUJJ-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.38
Rot. Bonds6

About 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 32870346) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID32870346
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-16-7-8-21(13-17(16)2)31(29,30)26-11-9-19(10-12-26)23(28)25-15-18-5-4-6-20(14-18)22(27)24-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyXOWKBPWVWKJUJJ-UHFFFAOYSA-N
XLogP2.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294416
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936
1-(2,4-dimethylphenyl)sulfonyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 55724146
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430619
1-(3,4-dimethylphenyl)sulfonyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 26695745
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
N-[[3-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55727564
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(3-acetylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 34830036

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 32870346) is 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CNC(=O)c1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is XOWKBPWVWKJUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-16-7-8-21(13-17(16)2)31(29,30)26-11-9-19(10-12-26)23(28)25-15-18-5-4-6-20(14-18)22(27)24-3/h4-8,13-14,19H,9-12,15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-[[3-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 32870346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).