N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide

C20H17NO3S — CID 71470520

IUPACN-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
SMILESCSc1cc(-c2ccccc2)oc(=O)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H17NO3S/c1-13-8-10-15(11-9-13)21-19(22)18-17(25-2)12-16(24-20(18)23)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22)
InChIKeyXZUANKPPNDVKGS-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.59
Rot. Bonds4

About N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide

N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide (PubChem CID 71470520) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
PubChem CID71470520
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC NameN-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide
SMILESCSc1cc(-c2ccccc2)oc(=O)c1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H17NO3S/c1-13-8-10-15(11-9-13)21-19(22)18-17(25-2)12-16(24-20(18)23)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22)
InChIKeyXZUANKPPNDVKGS-UHFFFAOYSA-N
XLogP4.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxylate
CID 14000272
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
3-(4-methylbenzoyl)-6-phenyl-4-propylpyran-2-one
CID 56931655
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(4-methylanilino)-6-phenylpyran-2-one
CID 52918105
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
2-methyl-5-oxo-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 110681206
methyl 2-oxo-4,6-diphenylpyran-3-carboxylate
CID 138984792

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide (CID 71470520) is N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide is CSc1cc(-c2ccccc2)oc(=O)c1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide?
The InChIKey is XZUANKPPNDVKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-13-8-10-15(11-9-13)21-19(22)18-17(25-2)12-16(24-20(18)23)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,21,22).
What are the key properties of N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide?
N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxamide is sourced from PubChem (CID 71470520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).