N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide

C23H21NO2S — CID 6421543

IUPACN-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
SMILESCc1ccc(SCC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO2S/c1-17-7-13-21(14-8-17)27-16-22(25)19-9-11-20(12-10-19)24-23(26)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyDSONHGROPJQGDG-UHFFFAOYSA-N
MW375.49 g/mol
LogP5.15
Rot. Bonds7

About N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide

N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide (PubChem CID 6421543) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
PubChem CID6421543
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
SMILESCc1ccc(SCC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H21NO2S/c1-17-7-13-21(14-8-17)27-16-22(25)19-9-11-20(12-10-19)24-23(26)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26)
InChIKeyDSONHGROPJQGDG-UHFFFAOYSA-N
XLogP5.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22779195
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22777048
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
4-oxo-4-[4-[(2-phenylacetyl)amino]phenyl]butanoic acid
CID 22992511
N-[4-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 22781801
2-[[4-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785287
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[(2-phenylacetyl)amino]benzoate
CID 1342655

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide (CID 6421543) is N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide is Cc1ccc(SCC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide?
The InChIKey is DSONHGROPJQGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-17-7-13-21(14-8-17)27-16-22(25)19-9-11-20(12-10-19)24-23(26)15-18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide?
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide has a molecular weight of 375.49 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 6421543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).