2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C23H27N3O4S — CID 26706661

IUPAC2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H27N3O4S/c1-3-13-24-22(27)19-9-5-6-10-21(19)25-23(28)20-16-18(12-11-17(20)2)31(29,30)26-14-7-4-8-15-26/h3,5-6,9-12,16H,1,4,7-8,13-15H2,2H3,(H,24,27)(H,25,28)
InChIKeyNXFWFQHEGCKZRN-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.34
Rot. Bonds7

About 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 26706661) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID26706661
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C23H27N3O4S/c1-3-13-24-22(27)19-9-5-6-10-21(19)25-23(28)20-16-18(12-11-17(20)2)31(29,30)26-14-7-4-8-15-26/h3,5-6,9-12,16H,1,4,7-8,13-15H2,2H3,(H,24,27)(H,25,28)
InChIKeyNXFWFQHEGCKZRN-UHFFFAOYSA-N
XLogP3.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 8839499
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
2-fluoro-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 15993056
2-bromo-5-piperidin-1-ylsulfonyl-N-prop-2-enylbenzamide
CID 9442255
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 26706661) is 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is NXFWFQHEGCKZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-3-13-24-22(27)19-9-5-6-10-21(19)25-23(28)20-16-18(12-11-17(20)2)31(29,30)26-14-7-4-8-15-26/h3,5-6,9-12,16H,1,4,7-8,13-15H2,2H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 441.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 26706661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).