2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid

C19H22N2O5S — CID 119113387

IUPAC2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-19(2,3)21-27(25,26)15-11-9-14(10-12-15)17(22)20-16(18(23)24)13-7-5-4-6-8-13/h4-12,16,21H,1-3H3,(H,20,22)(H,23,24)
InChIKeyRZDZREKEGMMSQQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.32
Rot. Bonds6

About 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid

2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid (PubChem CID 119113387) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
PubChem CID119113387
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-19(2,3)21-27(25,26)15-11-9-14(10-12-15)17(22)20-16(18(23)24)13-7-5-4-6-8-13/h4-12,16,21H,1-3H3,(H,20,22)(H,23,24)
InChIKeyRZDZREKEGMMSQQ-UHFFFAOYSA-N
XLogP2.32
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate
CID 71914932
4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
(2R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119367792
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
4-(tert-butylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51314571
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid (CID 119113387) is 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)NC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
The InChIKey is RZDZREKEGMMSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-19(2,3)21-27(25,26)15-11-9-14(10-12-15)17(22)20-16(18(23)24)13-7-5-4-6-8-13/h4-12,16,21H,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid?
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid has a molecular weight of 390.46 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119113387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).