N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C25H22N2O6S — CID 55865739

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C25H22N2O6S/c1-16-4-3-5-17(2)25(16)27-34(30,31)21-11-8-19(9-12-21)26-23(28)15-32-20-10-6-18-7-13-24(29)33-22(18)14-20/h3-14,27H,15H2,1-2H3,(H,26,28)
InChIKeyWIHGQDTXWYVXTE-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.23
Rot. Bonds7

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 55865739) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID55865739
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1
InChIInChI=1S/C25H22N2O6S/c1-16-4-3-5-17(2)25(16)27-34(30,31)21-11-8-19(9-12-21)26-23(28)15-32-20-10-6-18-7-13-24(29)33-22(18)14-20/h3-14,27H,15H2,1-2H3,(H,26,28)
InChIKeyWIHGQDTXWYVXTE-UHFFFAOYSA-N
XLogP4.23
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.23
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-[3-(benzenesulfonamido)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46465678
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816
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-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
methyl 2-methyl-6-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzoate
CID 17419486
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504639
N-(6-methoxy-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 26515775
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 55865739) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is WIHGQDTXWYVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-16-4-3-5-17(2)25(16)27-34(30,31)21-11-8-19(9-12-21)26-23(28)15-32-20-10-6-18-7-13-24(29)33-22(18)14-20/h3-14,27H,15H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 478.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 55865739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).