2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid

C14H18N2O5S — CID 119206284

IUPAC2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O5S/c1-2-16(9-13(17)18)14(19)10-4-3-5-12(8-10)22(20,21)15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyMMEBZAGPJWHQIH-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.67
Rot. Bonds7

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

2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid (PubChem CID 119206284) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
PubChem CID119206284
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O5S/c1-2-16(9-13(17)18)14(19)10-4-3-5-12(8-10)22(20,21)15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,17,18)
InChIKeyMMEBZAGPJWHQIH-UHFFFAOYSA-N
XLogP0.67
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(cyclopentylsulfamoyl)benzoyl]-ethylamino]propanoic acid
CID 119191474
3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
3-(cyclopropylsulfamoyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 55359807
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
2-[[3-(cyclopropylmethylsulfamoyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193315
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid (CID 119206284) is 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid?
The InChIKey is MMEBZAGPJWHQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-2-16(9-13(17)18)14(19)10-4-3-5-12(8-10)22(20,21)15-11-6-7-11/h3-5,8,11,15H,2,6-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid?
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid has a molecular weight of 326.37 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid is sourced from PubChem (CID 119206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).