4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide

C18H22N2O3S — CID 53282729

IUPAC4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-4-20(24(3,22)23)17-10-8-16(9-11-17)18(21)19-13-15-7-5-6-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyLBGHNPUDILWKGQ-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds6

About 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide

4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 53282729) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID53282729
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-4-20(24(3,22)23)17-10-8-16(9-11-17)18(21)19-13-15-7-5-6-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,19,21)
InChIKeyLBGHNPUDILWKGQ-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 53282813
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
4-(4-chloro-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]butanamide
CID 53285283
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 38017941
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53280554

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide (CID 53282729) is 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide is CCN(c1ccc(C(=O)NCc2cccc(C)c2)cc1)S(C)(=O)=O.
What is the InChIKey of 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is LBGHNPUDILWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-20(24(3,22)23)17-10-8-16(9-11-17)18(21)19-13-15-7-5-6-14(2)12-15/h5-12H,4,13H2,1-3H3,(H,19,21).
What are the key properties of 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide?
4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 53282729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).