4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide

C23H24N2O3S — CID 1106273

IUPAC4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(20-11-7-4-8-12-20)24-23(26)21-13-15-22(16-14-21)25(29(2,27)28)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyUUKAVTRJJTULFI-GOSISDBHSA-N
MW408.52 g/mol
LogP4.14
Rot. Bonds7

About 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide

4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 1106273) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID1106273
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O3S/c1-18(20-11-7-4-8-12-20)24-23(26)21-13-15-22(16-14-21)25(29(2,27)28)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,24,26)/t18-/m1/s1
InChIKeyUUKAVTRJJTULFI-GOSISDBHSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-phenylethyl)benzamide
CID 2884769
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
N-[1-(4-ethylphenyl)ethyl]-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 133261991
N-(3-methyl-1-phenylbutyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 43907434
4-[(4-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 125060844
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methyl-1-phenylbutyl)benzamide
CID 43905761
4-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(4-phenylbutan-2-yl)benzamide
CID 19062213
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[ethyl(methylsulfonyl)amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 100567468

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide (CID 1106273) is 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is UUKAVTRJJTULFI-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-18(20-11-7-4-8-12-20)24-23(26)21-13-15-22(16-14-21)25(29(2,27)28)17-19-9-5-3-6-10-19/h3-16,18H,17H2,1-2H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide?
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 1106273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).