2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid

C14H20N2O5S — CID 119206509

IUPAC2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-4-15-22(20,21)11-7-6-10(3)12(8-11)14(19)16(5-2)9-13(17)18/h6-8,15H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyLLAMLNRDSVJILN-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.84
Rot. Bonds7

About 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid

2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid (PubChem CID 119206509) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
PubChem CID119206509
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)O)c1
InChIInChI=1S/C14H20N2O5S/c1-4-15-22(20,21)11-7-6-10(3)12(8-11)14(19)16(5-2)9-13(17)18/h6-8,15H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyLLAMLNRDSVJILN-UHFFFAOYSA-N
XLogP0.84
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
N-[(4-cyanophenyl)methyl]-5-(ethylsulfamoyl)-2-methyl-N-propylbenzamide
CID 55593563
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
5-(benzylsulfamoyl)-N-ethyl-2-methyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 24981155
5-(ethylsulfamoyl)-N,2-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 32916846
5-(ethylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 27648413
2-[N-(carboxymethyl)-4-(ethylsulfamoyl)anilino]acetic acid
CID 63644748
5-(ethylsulfamoyl)-N,2-dimethyl-N-piperidin-4-ylbenzamide
CID 119441544

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid (CID 119206509) is 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid is CCNS(=O)(=O)c1ccc(C)c(C(=O)N(CC)CC(=O)O)c1.
What is the InChIKey of 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
The InChIKey is LLAMLNRDSVJILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-4-15-22(20,21)11-7-6-10(3)12(8-11)14(19)16(5-2)9-13(17)18/h6-8,15H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid?
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid has a molecular weight of 328.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid is sourced from PubChem (CID 119206509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).