N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C23H21NO3S — CID 8700658

IUPACN-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-16-8-13-21(20(14-16)23(26)17-6-4-3-5-7-17)24-22(25)15-28-19-11-9-18(27-2)10-12-19/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyTUPDVVXHCLJQGM-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.97
Rot. Bonds7

About N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 8700658) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID8700658
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC NameN-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21NO3S/c1-16-8-13-21(20(14-16)23(26)17-6-4-3-5-7-17)24-22(25)15-28-19-11-9-18(27-2)10-12-19/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyTUPDVVXHCLJQGM-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoyl-4-methylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 18586245
N-(2-benzoyl-4-methylphenyl)-4-(4-fluorophenyl)sulfanylbutanamide
CID 41086955
N-(2-benzoyl-4-methylphenyl)-4-ethylsulfanylbenzamide
CID 41044372
N-(2-benzoyl-4-methylphenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719623
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
2-(2-benzoyl-4-bromoanilino)-N-(4-methoxyphenyl)acetamide
CID 4500110
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2-benzoyl-4-methylphenyl)-2,6-dimethoxybenzamide
CID 7092358
N-(2-benzoyl-4-methylphenyl)-2-piperidin-1-ylacetamide
CID 1360092
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 8700658) is N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is TUPDVVXHCLJQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-16-8-13-21(20(14-16)23(26)17-6-4-3-5-7-17)24-22(25)15-28-19-11-9-18(27-2)10-12-19/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 391.49 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-methylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 8700658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).