2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid

C15H20N2O6S — CID 119195487

IUPAC2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H20N2O6S/c1-23-8-7-16-24(21,22)13-4-2-3-11(9-13)15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12,16H,5-8,10H2,1H3,(H,18,19)
InChIKeyGGRPLDVRZFDYIT-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.30
Rot. Bonds9

About 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid

2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid (PubChem CID 119195487) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
PubChem CID119195487
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid
SMILESCOCCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H20N2O6S/c1-23-8-7-16-24(21,22)13-4-2-3-11(9-13)15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12,16H,5-8,10H2,1H3,(H,18,19)
InChIKeyGGRPLDVRZFDYIT-UHFFFAOYSA-N
XLogP0.30
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565687
3-(2-methoxyethylsulfamoyl)-N-(3-methoxypropyl)benzamide
CID 55565589
4-[[3-(2-methoxyethylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230330
N,N-diethyl-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063741
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099
3-(2-methoxyethylsulfamoyl)-N-phenylbenzamide
CID 6463975
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
2-[[4-(2-methoxyethylsulfamoyl)benzoyl]-methylamino]acetic acid
CID 119172393
N-[4-(dimethylamino)phenyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 109063603
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3-(2-methoxyethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119533516

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid (CID 119195487) is 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid is COCCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid?
The InChIKey is GGRPLDVRZFDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-23-8-7-16-24(21,22)13-4-2-3-11(9-13)15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12,16H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid?
2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid has a molecular weight of 356.40 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2-methoxyethylsulfamoyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).