2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid

C15H22N2O5S — CID 119955065

IUPAC2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-5-11(3)17(9-14(18)19)15(20)12-7-6-10(2)13(8-12)16-23(4,21)22/h6-8,11,16H,5,9H2,1-4H3,(H,18,19)
InChIKeyAAQJDRXEVHHXNF-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.69
Rot. Bonds7

About 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid

2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid (PubChem CID 119955065) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
PubChem CID119955065
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O5S/c1-5-11(3)17(9-14(18)19)15(20)12-7-6-10(2)13(8-12)16-23(4,21)22/h6-8,11,16H,5,9H2,1-4H3,(H,18,19)
InChIKeyAAQJDRXEVHHXNF-UHFFFAOYSA-N
XLogP1.69
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic 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

2-[butan-2-yl-[4-fluoro-3-(methanesulfonamido)benzoyl]amino]acetic acid
CID 119955015
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
2-[butan-2-yl-(3-methyl-4-nitrobenzoyl)amino]acetic acid
CID 60829723
3-(methanesulfonamido)-4-methyl-N,N-dipropylbenzamide
CID 134062114
2-[butan-2-yl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 60828869
2-[butan-2-yl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119954717
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
2-[(3-chloro-4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 55161786
N-benzyl-N-[2-(diethylamino)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 60591541
2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]propanoic acid
CID 119225437
2-[butan-2-yl-(6-methylpyridine-3-carbonyl)amino]acetic acid
CID 60830074

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid (CID 119955065) is 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid?
The InChIKey is AAQJDRXEVHHXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-5-11(3)17(9-14(18)19)15(20)12-7-6-10(2)13(8-12)16-23(4,21)22/h6-8,11,16H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid?
2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid has a molecular weight of 342.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[3-(methanesulfonamido)-4-methylbenzoyl]amino]acetic acid is sourced from PubChem (CID 119955065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).