4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide

C24H26N2O3S — CID 133185354

IUPAC4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19(21-11-7-4-8-12-21)17-25-24(27)22-13-15-23(16-14-22)26(30(2,28)29)18-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3,(H,25,27)
InChIKeyDGKFXWFUUFMSCA-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.19
Rot. Bonds8

About 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide

4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide (PubChem CID 133185354) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
PubChem CID133185354
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
SMILESCC(CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H26N2O3S/c1-19(21-11-7-4-8-12-21)17-25-24(27)22-13-15-23(16-14-22)26(30(2,28)29)18-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3,(H,25,27)
InChIKeyDGKFXWFUUFMSCA-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluoro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202031
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202079
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 100503717
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[(4-iodo-2-methyl-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133200498
4-[(2-methyl-N-methylsulfonyl-5-nitroanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133200517
4-[[4-chloro-N-methylsulfonyl-2-(trifluoromethyl)anilino]methyl]-N-(2-phenylpropyl)benzamide
CID 133202069
4-[(2-chloro-N-methylsulfonyl-5-nitroanilino)methyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 100508358
4-[benzyl(methylsulfonyl)amino]-N-[(2-chlorophenyl)methyl]benzamide
CID 1295557

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide (CID 133185354) is 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide is CC(CNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide?
The InChIKey is DGKFXWFUUFMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-19(21-11-7-4-8-12-21)17-25-24(27)22-13-15-23(16-14-22)26(30(2,28)29)18-20-9-5-3-6-10-20/h3-16,19H,17-18H2,1-2H3,(H,25,27).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide?
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide has a molecular weight of 422.55 g/mol, XLogP of 4.19, 8 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-(2-phenylpropyl)benzamide is sourced from PubChem (CID 133185354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).