N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide

C23H22N2O2S — CID 8880850

IUPACN-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-7-11-20(12-8-17)24-22(26)15-28-16-23(27)25-21-13-9-19(10-14-21)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyGGPGBETUOVEHTC-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.97
Rot. Bonds7

About N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide

N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide (PubChem CID 8880850) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
PubChem CID8880850
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H22N2O2S/c1-17-7-11-20(12-8-17)24-22(26)15-28-16-23(27)25-21-13-9-19(10-14-21)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyGGPGBETUOVEHTC-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
CID 9145917
2-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 55589263
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
CID 34219891
N-(4-methylphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 2118628
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86980331
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
2-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9339469
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]sulfanylacetamide
CID 39580438

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide (CID 8880850) is N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide?
The InChIKey is GGPGBETUOVEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-17-7-11-20(12-8-17)24-22(26)15-28-16-23(27)25-21-13-9-19(10-14-21)18-5-3-2-4-6-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide has a molecular weight of 390.51 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 8880850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).