4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide

C19H24N2O3S — CID 113066828

IUPAC4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)19(22)20-13-14-21(25(3,23)24)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyPNUKXRWOIXJRAD-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds7

About 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide

4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide (PubChem CID 113066828) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
PubChem CID113066828
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)19(22)20-13-14-21(25(3,23)24)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22)
InChIKeyPNUKXRWOIXJRAD-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113066849
2-chloro-6-fluoro-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066850
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-[bis[2-[(4-methylbenzoyl)amino]ethyl]amino]ethyl]-4-methylbenzamide
CID 15462667
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 126450476
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide (CID 113066828) is 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCN(C(C)c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
The InChIKey is PNUKXRWOIXJRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15-9-11-18(12-10-15)19(22)20-13-14-21(25(3,23)24)16(2)17-7-5-4-6-8-17/h4-12,16H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide?
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide is sourced from PubChem (CID 113066828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).