N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 8839499

IUPACN-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C21H26N2O3S/c1-3-17-9-5-6-10-20(17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQHKCOCXUCXXJPO-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.98
Rot. Bonds5

About N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 8839499) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID8839499
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
InChIInChI=1S/C21H26N2O3S/c1-3-17-9-5-6-10-20(17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24)
InChIKeyQHKCOCXUCXXJPO-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813
2-methyl-N-(2-phenylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26727569
N-(2,3-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26538419
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
2-methyl-5-piperidin-1-ylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 26706661
5-(azepan-1-ylsulfonyl)-N-(2,4-dimethylphenyl)-2-methylbenzamide
CID 53281830
N-(5-amino-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 120568671
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-bromo-N-(2-methylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1216575
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 28590817
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 8839499) is N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is CCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C.
What is the InChIKey of N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QHKCOCXUCXXJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-17-9-5-6-10-20(17)22-21(24)19-15-18(12-11-16(19)2)27(25,26)23-13-7-4-8-14-23/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8839499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).