[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate

C18H19N3O6S — CID 2190341

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N3O6S/c1-2-16(22)21-15-6-4-3-5-14(15)18(24)27-11-17(23)20-12-7-9-13(10-8-12)28(19,25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)(H2,19,25,26)
InChIKeyXPGPVDSASUNADX-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.48
Rot. Bonds7

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate (PubChem CID 2190341) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate
PubChem CID2190341
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate
SMILESCCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N3O6S/c1-2-16(22)21-15-6-4-3-5-14(15)18(24)27-11-17(23)20-12-7-9-13(10-8-12)28(19,25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)(H2,19,25,26)
InChIKeyXPGPVDSASUNADX-UHFFFAOYSA-N
XLogP1.48
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoate
CID 629239
2-Methoxy-2-oxoethyl 2-(benzoylamino)benzoate
CID 708710
Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
CID 726578
Ethyl 2-((2-((methylsulphonyl)amino)benzoyl)amino)benzoate
CID 1266830
Methyl 2-[(2-acetyloxyacetyl)amino]benzoate
CID 2391092
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
Methyl 4-[(3-sulfamoylphenyl)carbamoyl]benzoate
CID 24854952
Methyl 2-{[ethoxy(oxo)acetyl]amino}benzoate
CID 3136318
2-{[2-Methyl-5-(4-morpholinylsulfonyl)benzoyl]amino}benzoic acid
CID 1251752
2-(2-Phenylsulfanyl-acetylamino)-benzoic acid ethyl ester
CID 846473
Methyl 4-({2-[methyl(phenylsulfonyl)amino]benzoyl}amino)benzoate
CID 1006879

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate (CID 2190341) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate is CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate?
The InChIKey is XPGPVDSASUNADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-2-16(22)21-15-6-4-3-5-14(15)18(24)27-11-17(23)20-12-7-9-13(10-8-12)28(19,25)26/h3-10H,2,11H2,1H3,(H,20,23)(H,21,22)(H2,19,25,26).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate has a molecular weight of 405.43 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(propanoylamino)benzoate is sourced from PubChem (CID 2190341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).