2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid

C14H22N2O4S — CID 79790485

IUPAC2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
SMILESCCC(C)(Nc1ccccc1S(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-5-14(4,13(17)18)15-11-8-6-7-9-12(11)21(19,20)16-10(2)3/h6-10,15-16H,5H2,1-4H3,(H,17,18)
InChIKeyOCFTYZVZGYEWIC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid

2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid (PubChem CID 79790485) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
PubChem CID79790485
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid
SMILESCCC(C)(Nc1ccccc1S(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-5-14(4,13(17)18)15-11-8-6-7-9-12(11)21(19,20)16-10(2)3/h6-10,15-16H,5H2,1-4H3,(H,17,18)
InChIKeyOCFTYZVZGYEWIC-UHFFFAOYSA-N
XLogP2.04
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(2-methylsulfonylanilino)butanoic acid
CID 79798877
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
CID 62663937
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-(3,3-dimethyl-2-oxobutyl)-N-propan-2-ylbenzenesulfonamide
CID 63199010
2-ethyl-2-(2-ethylsulfonylanilino)butanoic acid
CID 79806562
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid?
The IUPAC name of 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid (CID 79790485) is 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid?
The canonical SMILES for 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid is CCC(C)(Nc1ccccc1S(=O)(=O)NC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid?
The InChIKey is OCFTYZVZGYEWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-14(4,13(17)18)15-11-8-6-7-9-12(11)21(19,20)16-10(2)3/h6-10,15-16H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid?
2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid has a molecular weight of 314.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(propan-2-ylsulfamoyl)anilino]butanoic acid is sourced from PubChem (CID 79790485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).