5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid

C13H19NO5S — CID 82683360

IUPAC5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCOc1ccc(S(=O)(=O)NCC(C)CCC(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-10(3-8-13(15)16)9-14-20(17,18)12-6-4-11(19-2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyFMHFNFHWKAGVTH-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.47
Rot. Bonds8

About 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid

5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 82683360) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID82683360
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCOc1ccc(S(=O)(=O)NCC(C)CCC(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-10(3-8-13(15)16)9-14-20(17,18)12-6-4-11(19-2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyFMHFNFHWKAGVTH-UHFFFAOYSA-N
XLogP1.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic 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

3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
5-[(3,4-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683500
6-[(4-methoxyphenyl)sulfonylamino]-4-oxohexanoic acid
CID 18725228
5-[(3-bromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683808
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
N-(2,2-diphenylethyl)-4-methoxybenzenesulfonamide
CID 25041291
[2-(dimethylamino)-2-oxoethyl] 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate
CID 57203974
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
2-[4-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenoxy]acetic acid
CID 63964634
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
CID 102695591
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid (CID 82683360) is 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid is COc1ccc(S(=O)(=O)NCC(C)CCC(=O)O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is FMHFNFHWKAGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(3-8-13(15)16)9-14-20(17,18)12-6-4-11(19-2)5-7-12/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid?
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 82683360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).