2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide

C23H32N2O3S — CID 133185431

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O3S/c1-4-6-12-19(5-2)17-24-23(26)21-15-10-11-16-22(21)25(29(3,27)28)18-20-13-8-7-9-14-20/h7-11,13-16,19H,4-6,12,17-18H2,1-3H3,(H,24,26)
InChIKeyWMHKDRSPZNPIBV-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.60
Rot. Bonds11

About 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide

2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide (PubChem CID 133185431) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
PubChem CID133185431
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C23H32N2O3S/c1-4-6-12-19(5-2)17-24-23(26)21-15-10-11-16-22(21)25(29(3,27)28)18-20-13-8-7-9-14-20/h7-11,13-16,19H,4-6,12,17-18H2,1-3H3,(H,24,26)
InChIKeyWMHKDRSPZNPIBV-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-ethylhexyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612530
4-[(2,4-dichloro-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202074
4-[(5-chloro-N-methylsulfonyl-2-phenoxyanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133202009
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
4-[(3-bromo-N-methylsulfonylanilino)methyl]-N-(2-ethylhexyl)benzamide
CID 133218548
2-(2-bromo-N-methylsulfonylanilino)-N-(2-ethylhexyl)acetamide
CID 133185222
2-bromo-N-[(2S)-2-ethylhexyl]benzamide
CID 2287218
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-[(2S)-2-ethylhexyl]benzamide
CID 100505148
N-(2-ethylhexyl)-2-(methylamino)benzamide
CID 61377678
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
CID 53280424
2-[benzyl(methylsulfonyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53280365
N-(2-ethylhexyl)-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133163863

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide (CID 133185431) is 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide?
The InChIKey is WMHKDRSPZNPIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-4-6-12-19(5-2)17-24-23(26)21-15-10-11-16-22(21)25(29(3,27)28)18-20-13-8-7-9-14-20/h7-11,13-16,19H,4-6,12,17-18H2,1-3H3,(H,24,26).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide?
2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide has a molecular weight of 416.59 g/mol, XLogP of 4.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 133185431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).