2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid

C15H20N2O6S — CID 119205722

IUPAC2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20N2O6S/c1-3-17(9-14(18)19)15(20)10-4-7-12(23-2)13(8-10)24(21,22)16-11-5-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3,(H,18,19)
InChIKeyJQLMGMHZVIRFEM-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.68
Rot. Bonds8

About 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid

2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid (PubChem CID 119205722) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
PubChem CID119205722
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C15H20N2O6S/c1-3-17(9-14(18)19)15(20)10-4-7-12(23-2)13(8-10)24(21,22)16-11-5-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3,(H,18,19)
InChIKeyJQLMGMHZVIRFEM-UHFFFAOYSA-N
XLogP0.68
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-(2-methylpropyl)amino]acetic acid
CID 119192622
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249130
3-(cyclopropylsulfamoyl)-4-methoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824864
3-(cyclopropylsulfamoyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 46554772
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]butanoic acid
CID 119223228
2-methylprop-2-enyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 9380316
3-(cyclopropylsulfamoyl)-4-methoxy-N-(3-methoxypropyl)benzamide
CID 9439194
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid (CID 119205722) is 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid?
The InChIKey is JQLMGMHZVIRFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-3-17(9-14(18)19)15(20)10-4-7-12(23-2)13(8-10)24(21,22)16-11-5-6-11/h4,7-8,11,16H,3,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid?
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid has a molecular weight of 356.40 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid is sourced from PubChem (CID 119205722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).