2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid

C14H20N2O4S — CID 62696168

IUPAC2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-9(2)16-21(19,20)12-7-5-11(6-8-12)15-13(14(17)18)10-3-4-10/h5-10,13,15-16H,3-4H2,1-2H3,(H,17,18)
InChIKeyNJRGZWXYTYQKLI-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.65
Rot. Bonds7

About 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid

2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid (PubChem CID 62696168) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
PubChem CID62696168
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
SMILESCC(C)NS(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-9(2)16-21(19,20)12-7-5-11(6-8-12)15-13(14(17)18)10-3-4-10/h5-10,13,15-16H,3-4H2,1-2H3,(H,17,18)
InChIKeyNJRGZWXYTYQKLI-UHFFFAOYSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 119213497
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
2-(4-chloroanilino)-2-cyclopropylacetic acid
CID 61310557
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
2-[[4-(propan-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2967476
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-[(4-hydroxycyclohexyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43454139
2,2-diphenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 1263402

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid (CID 62696168) is 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid is CC(C)NS(=O)(=O)c1ccc(NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid?
The InChIKey is NJRGZWXYTYQKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9(2)16-21(19,20)12-7-5-11(6-8-12)15-13(14(17)18)10-3-4-10/h5-10,13,15-16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid?
2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid is sourced from PubChem (CID 62696168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).