N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide

C24H19NO6S — CID 46255904

IUPACN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(C)cc4)cc3c2)cc1
InChIInChI=1S/C24H19NO6S/c1-15-3-10-20(11-4-15)32(28,29)22-14-17-13-16(5-12-21(17)31-24(22)27)23(26)25-18-6-8-19(30-2)9-7-18/h3-14H,1-2H3,(H,25,26)
InChIKeyDAAIXDPVKPTNIS-UHFFFAOYSA-N
MW449.48 g/mol
LogP4.20
Rot. Bonds5

About N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide

N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide (PubChem CID 46255904) has the molecular formula C24H19NO6S and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
PubChem CID46255904
Molecular FormulaC24H19NO6S
Molecular Weight449.48 g/mol
Exact Mass449.09
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(C)cc4)cc3c2)cc1
InChIInChI=1S/C24H19NO6S/c1-15-3-10-20(11-4-15)32(28,29)22-14-17-13-16(5-12-21(17)31-24(22)27)23(26)25-18-6-8-19(30-2)9-7-18/h3-14H,1-2H3,(H,25,26)
InChIKeyDAAIXDPVKPTNIS-UHFFFAOYSA-N
XLogP4.20
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 54.20
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

3-(3,4-dimethylphenyl)sulfonyl-6-methoxychromen-2-one
CID 2134720
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
[3-(4-methylphenyl)sulfonyl-2-oxochromen-7-yl] acetate
CID 12701710
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
CID 2798637
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
4-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 2252935
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
N-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 34684171
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide (CID 46255904) is N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide is COc1ccc(NC(=O)c2ccc3oc(=O)c(S(=O)(=O)c4ccc(C)cc4)cc3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide?
The InChIKey is DAAIXDPVKPTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6S/c1-15-3-10-20(11-4-15)32(28,29)22-14-17-13-16(5-12-21(17)31-24(22)27)23(26)25-18-6-8-19(30-2)9-7-18/h3-14H,1-2H3,(H,25,26).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide?
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide has a molecular weight of 449.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide is sourced from PubChem (CID 46255904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).