N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide

C15H24N2O3S — CID 112507172

IUPACN-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide
SMILESCCNS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-17-21(19,20)14-7-5-13(6-8-14)9-10-16-15(18)11-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyXJZNZNPSVHVOBA-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.69
Rot. Bonds8

About N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide

N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide (PubChem CID 112507172) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide
PubChem CID112507172
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide
SMILESCCNS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-4-17-21(19,20)14-7-5-13(6-8-14)9-10-16-15(18)11-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyXJZNZNPSVHVOBA-UHFFFAOYSA-N
XLogP1.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]furan-2-carboxamide
CID 112507177
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(oxan-2-yl)acetamide
CID 110624165
2-cyclopropyl-N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-phenylacetamide
CID 110624148
4-(2-aminoethyl)-N-ethylbenzenesulfonamide
CID 16643231
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide (CID 112507172) is N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide is CCNS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)cc1.
What is the InChIKey of N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide?
The InChIKey is XJZNZNPSVHVOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-17-21(19,20)14-7-5-13(6-8-14)9-10-16-15(18)11-12(2)3/h5-8,12,17H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide?
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide is sourced from PubChem (CID 112507172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).