[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate

C18H14N2O7S — CID 7785472

IUPAC[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C18H14N2O7S/c19-28(24,25)13-6-3-5-12(9-13)20-16(21)10-26-17(22)14-8-11-4-1-2-7-15(11)27-18(14)23/h1-9H,10H2,(H,20,21)(H2,19,24,25)
InChIKeyXEQIKOHYJIEULH-UHFFFAOYSA-N
MW402.38 g/mol
LogP1.24
Rot. Bonds5

About [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate

[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate (PubChem CID 7785472) has the molecular formula C18H14N2O7S and a molecular weight of 402.38 g/mol. Its IUPAC name is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
PubChem CID7785472
Molecular FormulaC18H14N2O7S
Molecular Weight402.38 g/mol
Exact Mass402.05
IUPAC Name[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate
SMILESNS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
InChIInChI=1S/C18H14N2O7S/c19-28(24,25)13-6-3-5-12(9-13)20-16(21)10-26-17(22)14-8-11-4-1-2-7-15(11)27-18(14)23/h1-9H,10H2,(H,20,21)(H2,19,24,25)
InChIKeyXEQIKOHYJIEULH-UHFFFAOYSA-N
XLogP1.24
TPSA145.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methoxyanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7785630
[2-(4-bromoanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3978128
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2366109
[2-(methylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3683974
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2,5-dichlorobenzoate
CID 7723007
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7752429
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2416616
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-chloro-5-methylsulfonylbenzoate
CID 55311692
[2-oxo-2-(propan-2-ylamino)ethyl] 2-oxochromene-3-carboxylate
CID 7785493
[2-oxo-2-(3-sulfamoylanilino)ethyl] 5-chloro-2-fluorobenzoate
CID 8620088
[2-(2-benzoylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2365630
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 9290384

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate?
The IUPAC name of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate (CID 7785472) is [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate?
The canonical SMILES for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate is NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1.
What is the InChIKey of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate?
The InChIKey is XEQIKOHYJIEULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O7S/c19-28(24,25)13-6-3-5-12(9-13)20-16(21)10-26-17(22)14-8-11-4-1-2-7-15(11)27-18(14)23/h1-9H,10H2,(H,20,21)(H2,19,24,25).
What are the key properties of [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate?
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate has a molecular weight of 402.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-sulfamoylanilino)ethyl] 2-oxochromene-3-carboxylate is sourced from PubChem (CID 7785472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).