3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide

C13H20N2O3S — CID 110310348

IUPAC3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-10-19(17,18)14-2/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeySLGNJWDQJRVHDQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.59
Rot. Bonds7

About 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide

3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide (PubChem CID 110310348) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
PubChem CID110310348
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-10-19(17,18)14-2/h3-6,14H,7-10H2,1-2H3,(H,15,16)
InChIKeySLGNJWDQJRVHDQ-UHFFFAOYSA-N
XLogP0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-(3,3-difluoro-2-hydroxypropyl)-3-(4-methylphenyl)propanamide
CID 113258582
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 108574246
N-[4-(4-methylphenyl)butyl]-3-methylsulfonylpropanamide
CID 110627922
N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-3-(4-methylphenyl)propanamide
CID 110356474
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide (CID 110310348) is 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide is CNS(=O)(=O)CCNC(=O)CCc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
The InChIKey is SLGNJWDQJRVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-11-3-5-12(6-4-11)7-8-13(16)15-9-10-19(17,18)14-2/h3-6,14H,7-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide?
3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 110310348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).