2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid

C13H20N2O4S — CID 61007878

IUPAC2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
SMILESCCCN(CC(=O)O)c1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)17)11-7-5-6-8-12(11)20(18,19)14-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyPKMPTJWJTGFWIW-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.29
Rot. Bonds8

About 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid

2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid (PubChem CID 61007878) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid.

Molecular Properties

Compound Name2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
PubChem CID61007878
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid
SMILESCCCN(CC(=O)O)c1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)17)11-7-5-6-8-12(11)20(18,19)14-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17)
InChIKeyPKMPTJWJTGFWIW-UHFFFAOYSA-N
XLogP1.29
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylsulfamoyl)-N-methylanilino]propanoic acid
CID 55025594
3-[N-ethyl-2-(ethylsulfamoyl)anilino]-2-methylpropanoic acid
CID 62852400
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
2-(ethylsulfamoyl)benzoic acid
CID 18725198
2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
CID 79264806
2-(2-cyano-N-propylanilino)acetic acid
CID 61009108
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
2-(2,3-dimethyl-N-propylanilino)acetic acid
CID 83560260
ethyl 2-(N-propyl-2-sulfamoylanilino)acetate
CID 62007209
2-[2-ethylsulfonyl-N-(2-methylpropyl)anilino]acetic acid
CID 63064144
2-(2-ethylsulfonyl-N-prop-2-enylanilino)acetic acid
CID 79263866
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid?
The IUPAC name of 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid (CID 61007878) is 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid.
What is the SMILES notation for 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid?
The canonical SMILES for 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid is CCCN(CC(=O)O)c1ccccc1S(=O)(=O)NCC.
What is the InChIKey of 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid?
The InChIKey is PKMPTJWJTGFWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-9-15(10-13(16)17)11-7-5-6-8-12(11)20(18,19)14-4-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid?
2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid has a molecular weight of 300.38 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfamoyl)-N-propylanilino]acetic acid is sourced from PubChem (CID 61007878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).