3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

C13H20N2O3S — CID 895367

IUPAC3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)9-15-19(17,18)12-6-3-11(4-7-12)5-8-13(14)16/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,14,16)
InChIKeyIGYNRQIBRDJJKT-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds7

About 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide

3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (PubChem CID 895367) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
PubChem CID895367
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(N)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)9-15-19(17,18)12-6-3-11(4-7-12)5-8-13(14)16/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,14,16)
InChIKeyIGYNRQIBRDJJKT-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(2-methylpropylsulfamoyl)phenyl]propanoylamino]benzamide
CID 126185320
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
CID 102695591
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-(3-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211041
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2200896
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
N-(3-chloro-4-methoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 5055466
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide (CID 895367) is 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is CC(C)CNS(=O)(=O)c1ccc(CCC(N)=O)cc1.
What is the InChIKey of 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
The InChIKey is IGYNRQIBRDJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)9-15-19(17,18)12-6-3-11(4-7-12)5-8-13(14)16/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide?
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 895367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).