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

C23H22N2O2S2 — CID 34219891

IUPACN-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S2/c1-17-11-13-18(14-12-17)24-22(26)15-28-16-23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHCZRWSVUMZETB-UHFFFAOYSA-N
MW422.58 g/mol
LogP5.46
Rot. Bonds8

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

N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide (PubChem CID 34219891) has the molecular formula C23H22N2O2S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
PubChem CID34219891
Molecular FormulaC23H22N2O2S2
Molecular Weight422.58 g/mol
Exact Mass422.11
IUPAC NameN-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2S2/c1-17-11-13-18(14-12-17)24-22(26)15-28-16-23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyKHCZRWSVUMZETB-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
4-(4-methylphenyl)-4-oxo-N-(2-phenylsulfanylphenyl)butanamide
CID 108796287
N-(2-phenylsulfanylphenyl)-2-(propylamino)acetamide
CID 60648203
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
2-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 55589263
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 19526400
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
3-(4-methylpiperazin-1-yl)-N-[4-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10578002

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide (CID 34219891) is N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide?
The InChIKey is KHCZRWSVUMZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S2/c1-17-11-13-18(14-12-17)24-22(26)15-28-16-23(27)25-20-9-5-6-10-21(20)29-19-7-3-2-4-8-19/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide has a molecular weight of 422.58 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 34219891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).