N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C23H18N2O6S — CID 46465678

IUPACN-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H18N2O6S/c26-22(15-30-19-11-9-16-10-12-23(27)31-21(16)14-19)24-17-5-4-6-18(13-17)25-32(28,29)20-7-2-1-3-8-20/h1-14,25H,15H2,(H,24,26)
InChIKeyYVZGYULJYYXAQC-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.61
Rot. Bonds7

About N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 46465678) has the molecular formula C23H18N2O6S and a molecular weight of 450.47 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID46465678
Molecular FormulaC23H18N2O6S
Molecular Weight450.47 g/mol
Exact Mass450.09
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C23H18N2O6S/c26-22(15-30-19-11-9-16-10-12-23(27)31-21(16)14-19)24-17-5-4-6-18(13-17)25-32(28,29)20-7-2-1-3-8-20/h1-14,25H,15H2,(H,24,26)
InChIKeyYVZGYULJYYXAQC-UHFFFAOYSA-N
XLogP3.61
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(4-cyclopentylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 46547829
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129
N-[2-(2-hydroxyethyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 171911516
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 5157338

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 46465678) is N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)Nc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is YVZGYULJYYXAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O6S/c26-22(15-30-19-11-9-16-10-12-23(27)31-21(16)14-19)24-17-5-4-6-18(13-17)25-32(28,29)20-7-2-1-3-8-20/h1-14,25H,15H2,(H,24,26).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 450.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 46465678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).