N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide

C22H24N2O6S — CID 16504642

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1C
InChIInChI=1S/C22H24N2O6S/c1-4-24(5-2)31(27,28)20-12-17(9-6-15(20)3)23-21(25)14-29-18-10-7-16-8-11-22(26)30-19(16)13-18/h6-13H,4-5,14H2,1-3H3,(H,23,25)
InChIKeySSKCCDWEOMONFR-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.15
Rot. Bonds8

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 16504642) has the molecular formula C22H24N2O6S and a molecular weight of 444.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID16504642
Molecular FormulaC22H24N2O6S
Molecular Weight444.51 g/mol
Exact Mass444.14
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1C
InChIInChI=1S/C22H24N2O6S/c1-4-24(5-2)31(27,28)20-12-17(9-6-15(20)3)23-21(25)14-29-18-10-7-16-8-11-22(26)30-19(16)13-18/h6-13H,4-5,14H2,1-3H3,(H,23,25)
InChIKeySSKCCDWEOMONFR-UHFFFAOYSA-N
XLogP3.15
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55340959
N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 55308081
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
N-[4-(difluoromethoxy)phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705048
N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 1079173
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
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
N-(3-nitrophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705142

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 16504642) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is SSKCCDWEOMONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S/c1-4-24(5-2)31(27,28)20-12-17(9-6-15(20)3)23-21(25)14-29-18-10-7-16-8-11-22(26)30-19(16)13-18/h6-13H,4-5,14H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 444.51 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 16504642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).