N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide

C18H16N2O5S — CID 24677976

IUPACN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C18H16N2O5S/c21-17-9-6-14-12-15(7-8-16(14)25-17)26(23,24)20-11-10-19-18(22)13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyDBZMIWCAESEPMW-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide

N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide (PubChem CID 24677976) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
PubChem CID24677976
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
SMILESO=C(NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1
InChIInChI=1S/C18H16N2O5S/c21-17-9-6-14-12-15(7-8-16(14)25-17)26(23,24)20-11-10-19-18(22)13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyDBZMIWCAESEPMW-UHFFFAOYSA-N
XLogP1.50
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide 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

N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
2-oxo-N-(4-phenylbutyl)chromene-6-sulfonamide
CID 24677933
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429
N-(5-hydroxypentyl)-2-oxochromene-6-sulfonamide
CID 107319443
N-[2-(cyclopropylamino)ethyl]-2-oxochromene-6-sulfonamide
CID 62664267
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
CID 30713734
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
3-(2-benzamidoethylsulfamoyl)benzenesulfonyl fluoride
CID 166407089
2-oxo-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 2987974
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide?
The IUPAC name of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide (CID 24677976) is N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide is O=C(NCCNS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccccc1.
What is the InChIKey of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide?
The InChIKey is DBZMIWCAESEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17-9-6-14-12-15(7-8-16(14)25-17)26(23,24)20-11-10-19-18(22)13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,19,22).
What are the key properties of N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide?
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 24677976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).