4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide

C20H26N2O3S — CID 133243740

IUPAC4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)16(3)21-20(23)18-10-12-19(13-11-18)22(26(4,24)25)14-17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyIBQBLVNRFGEOFL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.43
Rot. Bonds7

About 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide

4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide (PubChem CID 133243740) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
PubChem CID133243740
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)16(3)21-20(23)18-10-12-19(13-11-18)22(26(4,24)25)14-17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyIBQBLVNRFGEOFL-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
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-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
4-[(2-ethoxy-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571657
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
N-(3-methyl-1-phenylbutyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 43907434
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1106193
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 100571603
N-[(1S)-1-(4-methylphenyl)propyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 92680361
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methyl-1-phenylbutyl)benzamide
CID 43905761

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide (CID 133243740) is 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is IBQBLVNRFGEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)16(3)21-20(23)18-10-12-19(13-11-18)22(26(4,24)25)14-17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,21,23).
What are the key properties of 4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide?
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.43, 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-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 133243740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).