2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid

C12H17N3O5S — CID 106340736

IUPAC2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
SMILESCNS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H17N3O5S/c1-13-21(19,20)6-5-14-12(18)15-10-4-2-3-9(7-10)8-11(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyRSAKYLFKRHCHPG-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.02
Rot. Bonds7

About 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid

2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid (PubChem CID 106340736) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
PubChem CID106340736
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid
SMILESCNS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H17N3O5S/c1-13-21(19,20)6-5-14-12(18)15-10-4-2-3-9(7-10)8-11(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyRSAKYLFKRHCHPG-UHFFFAOYSA-N
XLogP-0.02
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]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

1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-(3-methoxypropylcarbamoylamino)phenyl]acetic acid
CID 65345451
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
2-[3-(2-pyrazol-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 65345773
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119352064
4-[[3-(methylaminomethyl)phenyl]carbamoylamino]butanoic acid
CID 61407882
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
CID 65345977
2-[3-(2,2-dimethylpropanoylamino)phenyl]acetic acid
CID 28759434

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid (CID 106340736) is 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid is CNS(=O)(=O)CCNC(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid?
The InChIKey is RSAKYLFKRHCHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-13-21(19,20)6-5-14-12(18)15-10-4-2-3-9(7-10)8-11(16)17/h2-4,7,13H,5-6,8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid?
2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid has a molecular weight of 315.35 g/mol, XLogP of -0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(methylsulfamoyl)ethylcarbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 106340736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).