3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide

C19H24N2O3S — CID 113138683

IUPAC3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)13-14-21(25(2,23)24)15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyKJMRMZVFUSCSLH-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds8

About 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide

3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide (PubChem CID 113138683) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
PubChem CID113138683
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)13-14-21(25(2,23)24)15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22)
InChIKeyKJMRMZVFUSCSLH-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-(4-ethylphenyl)-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139946
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(4-ethylphenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141316
3-[methylsulfonyl(pyridin-3-ylmethyl)amino]-N-phenylpropanamide
CID 113139932
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726
3-[benzyl(methylsulfonyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113138727
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[methylsulfonyl(pentyl)amino]-N-phenylpropanamide
CID 113141302
3-[methylsulfonyl(propyl)amino]-N-(4-phenylmethoxyphenyl)propanamide
CID 113136007

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide (CID 113138683) is 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide?
The InChIKey is KJMRMZVFUSCSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-16-9-11-18(12-10-16)20-19(22)13-14-21(25(2,23)24)15-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3,(H,20,22).
What are the key properties of 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide?
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113138683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).