N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C24H19ClN2O6S — CID 2098370

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)ccc12
InChIInChI=1S/C24H19ClN2O6S/c1-15-11-24(29)33-22-13-19(7-10-21(15)22)32-14-23(28)26-17-5-8-20(9-6-17)34(30,31)27-18-4-2-3-16(25)12-18/h2-13,27H,14H2,1H3,(H,26,28)
InChIKeyYGEBQEJVBIHVJV-UHFFFAOYSA-N
MW498.94 g/mol
LogP4.57
Rot. Bonds7

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 2098370) has the molecular formula C24H19ClN2O6S and a molecular weight of 498.94 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID2098370
Molecular FormulaC24H19ClN2O6S
Molecular Weight498.94 g/mol
Exact Mass498.07
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)ccc12
InChIInChI=1S/C24H19ClN2O6S/c1-15-11-24(29)33-22-13-19(7-10-21(15)22)32-14-23(28)26-17-5-8-20(9-6-17)34(30,31)27-18-4-2-3-16(25)12-18/h2-13,27H,14H2,1H3,(H,26,28)
InChIKeyYGEBQEJVBIHVJV-UHFFFAOYSA-N
XLogP4.57
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 54.57
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-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 55865739
2-(3-chlorophenoxy)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638123
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
CID 158590550
4-chloro-N-(4-methyl-2-oxochromen-7-yl)benzenesulfonamide
CID 110734310
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844029
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 2098370) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)ccc12.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is YGEBQEJVBIHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O6S/c1-15-11-24(29)33-22-13-19(7-10-21(15)22)32-14-23(28)26-17-5-8-20(9-6-17)34(30,31)27-18-4-2-3-16(25)12-18/h2-13,27H,14H2,1H3,(H,26,28).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 498.94 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 2098370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).