4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide

C26H24N2O5S — CID 108799991

IUPAC4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H24N2O5S/c1-16-13-17(2)25-22(14-16)23(29)15-24(33-25)18-5-7-19(8-6-18)26(30)27-20-9-11-21(12-10-20)34(31,32)28(3)4/h5-15H,1-4H3,(H,27,30)
InChIKeyLQPBMDPDYIXSCY-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.58
Rot. Bonds5

About 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide

4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide (PubChem CID 108799991) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
PubChem CID108799991
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)cc3)cc(=O)c2c1
InChIInChI=1S/C26H24N2O5S/c1-16-13-17(2)25-22(14-16)23(29)15-24(33-25)18-5-7-19(8-6-18)26(30)27-20-9-11-21(12-10-20)34(31,32)28(3)4/h5-15H,1-4H3,(H,27,30)
InChIKeyLQPBMDPDYIXSCY-UHFFFAOYSA-N
XLogP4.58
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108786947
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799981
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 108800008
N-(3-bromophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787110
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-(2,3-dimethylphenyl)benzamide
CID 108787032
N-(2,6-difluorophenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787054
N-tert-butyl-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787059
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2,4-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108799946
N-(4-chloro-2,5-dimethoxyphenyl)-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787133
N-[4-(diethylamino)butyl]-4-(6,8-dimethyl-4-oxochromen-2-yl)benzamide
CID 108787093
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide (CID 108799991) is 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide is Cc1cc(C)c2oc(-c3ccc(C(=O)Nc4ccc(S(=O)(=O)N(C)C)cc4)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
The InChIKey is LQPBMDPDYIXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c1-16-13-17(2)25-22(14-16)23(29)15-24(33-25)18-5-7-19(8-6-18)26(30)27-20-9-11-21(12-10-20)34(31,32)28(3)4/h5-15H,1-4H3,(H,27,30).
What are the key properties of 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide?
4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide has a molecular weight of 476.55 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethyl-4-oxochromen-2-yl)-N-[4-(dimethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 108799991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).