3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

C24H26N2O4S — CID 125043041

IUPAC3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-17-8-5-6-11-23(17)18(2)25-24(27)19-9-7-10-20(16-19)26(3)31(28,29)22-14-12-21(30-4)13-15-22/h5-16,18H,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyBRJHDWCFROWATO-GOSISDBHSA-N
MW438.55 g/mol
LogP4.32
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide

3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (PubChem CID 125043041) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
PubChem CID125043041
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-17-8-5-6-11-23(17)18(2)25-24(27)19-9-7-10-20(16-19)26(3)31(28,29)22-14-12-21(30-4)13-15-22/h5-16,18H,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyBRJHDWCFROWATO-GOSISDBHSA-N
XLogP4.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 100610475
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052999
N-[1-(2,4-difluorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 42907074
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
3-(dimethylamino)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787497
N-butan-2-yl-3-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 132654284
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 125043107
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716
3-[benzenesulfonyl(methyl)amino]-N-pentan-2-ylbenzamide
CID 132654285
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 46415949

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide (CID 125043041) is 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)N[C@H](C)c3ccccc3C)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is BRJHDWCFROWATO-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17-8-5-6-11-23(17)18(2)25-24(27)19-9-7-10-20(16-19)26(3)31(28,29)22-14-12-21(30-4)13-15-22/h5-16,18H,1-4H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide?
3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 125043041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).