N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide

C22H18ClNO2S — CID 9145872

IUPACN-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO2S/c23-19-10-12-20(13-11-19)24-22(26)15-27-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)
InChIKeyNCSNHADKUOVFSP-UHFFFAOYSA-N
MW395.91 g/mol
LogP5.56
Rot. Bonds7

About N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide

N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide (PubChem CID 9145872) has the molecular formula C22H18ClNO2S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
PubChem CID9145872
Molecular FormulaC22H18ClNO2S
Molecular Weight395.91 g/mol
Exact Mass395.07
IUPAC NameN-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H18ClNO2S/c23-19-10-12-20(13-11-19)24-22(26)15-27-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26)
InChIKeyNCSNHADKUOVFSP-UHFFFAOYSA-N
XLogP5.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
CID 9145917
2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 6969899
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
5-(4-chlorophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103866
2-[2-(carbamoylamino)-2-oxoethyl]sulfanyl-N-(4-chlorophenyl)acetamide
CID 2075802
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
propyl 4-[[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732137
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-phenylacetamide
CID 50759748
N-(4-chlorophenyl)-2-[2-(2,5-dichloroanilino)-2-oxoethyl]sulfanylacetamide
CID 26577783

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide (CID 9145872) is N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide is O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide?
The InChIKey is NCSNHADKUOVFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2S/c23-19-10-12-20(13-11-19)24-22(26)15-27-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13H,14-15H2,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide has a molecular weight of 395.91 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide is sourced from PubChem (CID 9145872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).