2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid

C17H26N2O5S — CID 119192606

IUPAC2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C17H26N2O5S/c1-5-13(4)18-25(23,24)15-8-6-14(7-9-15)17(22)19(10-12(2)3)11-16(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyVHWUAEGBWJWIKF-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.95
Rot. Bonds9

About 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid

2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119192606) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119192606
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C17H26N2O5S/c1-5-13(4)18-25(23,24)15-8-6-14(7-9-15)17(22)19(10-12(2)3)11-16(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3,(H,20,21)
InChIKeyVHWUAEGBWJWIKF-UHFFFAOYSA-N
XLogP1.95
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)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-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
CID 119204732
3-[[4-(butan-2-ylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119190814
2-[[4-(2-methoxyethylsulfonyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192904
N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
2-[2-methylpropyl-[4-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]acetic acid
CID 119193093
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
1-N,1-N,4-N,4-N-tetrakis(2-methylpropyl)benzene-1,4-dicarboxamide
CID 3616296
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)-N-(2-methylpropyl)benzamide
CID 55836803
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid (CID 119192606) is 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid is CCC(C)NS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is VHWUAEGBWJWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-5-13(4)18-25(23,24)15-8-6-14(7-9-15)17(22)19(10-12(2)3)11-16(20)21/h6-9,12-13,18H,5,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 370.47 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(butan-2-ylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).