5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid

C13H18N2O5S — CID 60941283

IUPAC5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-2-14-21(19,20)11-8-6-10(7-9-11)15-12(16)4-3-5-13(17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyNKJLKYJWZIDMTI-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.18
Rot. Bonds8

About 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid

5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid (PubChem CID 60941283) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
PubChem CID60941283
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-2-14-21(19,20)11-8-6-10(7-9-11)15-12(16)4-3-5-13(17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,18)
InChIKeyNKJLKYJWZIDMTI-UHFFFAOYSA-N
XLogP1.18
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
3-(benzenesulfonyl)-N-[4-(ethylsulfamoyl)phenyl]propanamide
CID 17310169
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
N,N'-bis[4-(acetylsulfamoyl)phenyl]pentanediamide
CID 4199591
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
4-[4-[[4-(3-carboxypropanoylamino)phenyl]sulfonylamino]anilino]-4-oxobutanoic acid
CID 7364162

Frequently Asked Questions

What is the IUPAC name of 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid (CID 60941283) is 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid is CCNS(=O)(=O)c1ccc(NC(=O)CCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is NKJLKYJWZIDMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-2-14-21(19,20)11-8-6-10(7-9-11)15-12(16)4-3-5-13(17)18/h6-9,14H,2-5H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid?
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 314.36 g/mol, XLogP of 1.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60941283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).