2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid

C19H20N2O5S — CID 119351789

IUPAC2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(23)10-14-3-1-5-16(9-14)21-19(24)15-4-2-6-17(11-15)27(25,26)20-12-13-7-8-13/h1-6,9,11,13,20H,7-8,10,12H2,(H,21,24)(H,22,23)
InChIKeyPMEKGFLRDPQGBN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.25
Rot. Bonds8

About 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid

2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid (PubChem CID 119351789) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
PubChem CID119351789
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1
InChIInChI=1S/C19H20N2O5S/c22-18(23)10-14-3-1-5-16(9-14)21-19(24)15-4-2-6-17(11-15)27(25,26)20-12-13-7-8-13/h1-6,9,11,13,20H,7-8,10,12H2,(H,21,24)(H,22,23)
InChIKeyPMEKGFLRDPQGBN-UHFFFAOYSA-N
XLogP2.25
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]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

N-(4-anilinophenyl)-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37005243
3-(cyclopropylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617470
3-(cyclopropylmethylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 37004365
2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882
3-(cyclopropylmethylsulfamoyl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55931368
3-(cyclopropylmethylsulfamoyl)-N-(4-propan-2-ylphenyl)benzamide
CID 36991894
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
N-[4-(azepan-1-yl)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 55597646
3-(cyclopropylmethylsulfamoyl)-N-(2-hydroxy-5-methylphenyl)benzamide
CID 60561894
3-(cyclopropylmethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37021657
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 142738657

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid (CID 119351789) is 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c1.
What is the InChIKey of 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid?
The InChIKey is PMEKGFLRDPQGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(23)10-14-3-1-5-16(9-14)21-19(24)15-4-2-6-17(11-15)27(25,26)20-12-13-7-8-13/h1-6,9,11,13,20H,7-8,10,12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid?
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid has a molecular weight of 388.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).