2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide

C22H19NO2S — CID 9145917

IUPAC2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19NO2S/c24-21(15-26-16-22(25)23-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25)
InChIKeyHNTPOPXTFVXVEQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.91
Rot. Bonds7

About 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide

2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide (PubChem CID 9145917) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
PubChem CID9145917
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1
InChIInChI=1S/C22H19NO2S/c24-21(15-26-16-22(25)23-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25)
InChIKeyHNTPOPXTFVXVEQ-UHFFFAOYSA-N
XLogP4.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenacylsulfanyl-N-phenylacetamide
CID 569693
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetonitrile
CID 82531764
2-benzylsulfanyl-N-phenylacetamide
CID 584914
(2-anilino-2-oxoethyl) 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971115
3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 82032731
4-[(2-anilino-2-oxoethyl)sulfanylmethyl]benzoate
CID 5012492
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide (CID 9145917) is 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide is O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide?
The InChIKey is HNTPOPXTFVXVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2S/c24-21(15-26-16-22(25)23-20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,23,25).
What are the key properties of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide?
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide has a molecular weight of 361.47 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 9145917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).