4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide

C21H26N2O3S — CID 109061511

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-18-9-6-7-15-23(18)27(25,26)19-13-11-17(12-14-19)21(24)22-20-10-5-4-8-16(20)2/h4-5,8,10-14,18H,3,6-7,9,15H2,1-2H3,(H,22,24)
InChIKeyXASBZZDMQOSSBP-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.20
Rot. Bonds5

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide (PubChem CID 109061511) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
PubChem CID109061511
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-18-9-6-7-15-23(18)27(25,26)19-13-11-17(12-14-19)21(24)22-20-10-5-4-8-16(20)2/h4-5,8,10-14,18H,3,6-7,9,15H2,1-2H3,(H,22,24)
InChIKeyXASBZZDMQOSSBP-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxoisoindol-4-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4687588
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
4-chloro-N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]benzamide
CID 41121275
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707
N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-4-nitrobenzamide
CID 7381709
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058846
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16942353
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2-methylphenyl)oxamide
CID 41196258
2-[[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoyl]amino]-N-methylthiophene-3-carboxamide
CID 41187405
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-fluorobenzamide
CID 17256852

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide (CID 109061511) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide?
The InChIKey is XASBZZDMQOSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-18-9-6-7-15-23(18)27(25,26)19-13-11-17(12-14-19)21(24)22-20-10-5-4-8-16(20)2/h4-5,8,10-14,18H,3,6-7,9,15H2,1-2H3,(H,22,24).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 109061511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).