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

C15H20N2O5S — CID 119213497

IUPAC2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-9(2)17-23(21,22)12-7-5-11(6-8-12)14(18)16-13(15(19)20)10-3-4-10/h5-10,13,17H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDRULGVHQYHZBEO-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.97
Rot. Bonds7

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

2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 119213497) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID119213497
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O5S/c1-9(2)17-23(21,22)12-7-5-11(6-8-12)14(18)16-13(15(19)20)10-3-4-10/h5-10,13,17H,3-4H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyDRULGVHQYHZBEO-UHFFFAOYSA-N
XLogP0.97
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[4-(propan-2-ylsulfamoyl)anilino]acetic acid
CID 62696168
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
2-(oxan-3-yl)-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 120548970
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 103920276
2-[(4-acetamidophenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62694827
2-methyl-3-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119237016
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid (CID 119213497) is 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid is CC(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is DRULGVHQYHZBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-9(2)17-23(21,22)12-7-5-11(6-8-12)14(18)16-13(15(19)20)10-3-4-10/h5-10,13,17H,3-4H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 340.40 g/mol, XLogP of 0.97, 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)benzoyl]amino]acetic acid is sourced from PubChem (CID 119213497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).