2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide

C19H18N2O5S — CID 30713734

IUPAC2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H18N2O5S/c1-2-11-20-19(23)15-5-3-4-6-16(15)21-27(24,25)14-8-9-17-13(12-14)7-10-18(22)26-17/h3-10,12,21H,2,11H2,1H3,(H,20,23)
InChIKeyHQZPTTMIVQKCFE-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.73
Rot. Bonds6

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

2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide (PubChem CID 30713734) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide.

Molecular Properties

Compound Name2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
PubChem CID30713734
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC Name2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1
InChIInChI=1S/C19H18N2O5S/c1-2-11-20-19(23)15-5-3-4-6-16(15)21-27(24,25)14-8-9-17-13(12-14)7-10-18(22)26-17/h3-10,12,21H,2,11H2,1H3,(H,20,23)
InChIKeyHQZPTTMIVQKCFE-UHFFFAOYSA-N
XLogP2.73
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxochromen-6-yl)sulfonylamino]-N-prop-2-enylbenzamide
CID 43053206
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
2-[(2-oxochromen-6-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 30713520
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]benzamide
CID 24677976
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
N-butyl-2-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonylamino]benzamide
CID 100719107
2-methoxy-5-[(2-methylphenyl)sulfamoyl]-N-propylbenzamide
CID 27261659
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
CID 18524688
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)chromene-6-sulfonamide
CID 55544360

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide?
The IUPAC name of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide (CID 30713734) is 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide.
What is the SMILES notation for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide?
The canonical SMILES for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide is CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1.
What is the InChIKey of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide?
The InChIKey is HQZPTTMIVQKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-2-11-20-19(23)15-5-3-4-6-16(15)21-27(24,25)14-8-9-17-13(12-14)7-10-18(22)26-17/h3-10,12,21H,2,11H2,1H3,(H,20,23).
What are the key properties of 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide?
2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide has a molecular weight of 386.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxochromen-6-yl)sulfonylamino]-N-propylbenzamide is sourced from PubChem (CID 30713734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).