2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide

C27H23NO2S — CID 2905293

IUPAC2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO2S/c29-27(26(22-12-6-2-7-13-22)31-25-14-8-3-9-15-25)28-23-16-18-24(19-17-23)30-20-21-10-4-1-5-11-21/h1-19,26H,20H2,(H,28,29)
InChIKeyQGIBOKTZEUBDJR-UHFFFAOYSA-N
MW425.55 g/mol
LogP6.74
Rot. Bonds8

About 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide

2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 2905293) has the molecular formula C27H23NO2S and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID2905293
Molecular FormulaC27H23NO2S
Molecular Weight425.55 g/mol
Exact Mass425.14
IUPAC Name2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23NO2S/c29-27(26(22-12-6-2-7-13-22)31-25-14-8-3-9-15-25)28-23-16-18-24(19-17-23)30-20-21-10-4-1-5-11-21/h1-19,26H,20H2,(H,28,29)
InChIKeyQGIBOKTZEUBDJR-UHFFFAOYSA-N
XLogP6.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.55
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
4-[[2-[4-[[(Z)-2-benzamido-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 22190800
2-methyl-N-[4-[(2-phenyl-2-phenylsulfanylacetyl)amino]phenyl]propanamide
CID 43000405
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134062896
2-[[4-[2-(4-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785382
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 23101069
4-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786434
N-(4-ethoxyphenyl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19316518
N-(4-bromophenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168358
(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide (CID 2905293) is 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide is O=C(Nc1ccc(OCc2ccccc2)cc1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is QGIBOKTZEUBDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO2S/c29-27(26(22-12-6-2-7-13-22)31-25-14-8-3-9-15-25)28-23-16-18-24(19-17-23)30-20-21-10-4-1-5-11-21/h1-19,26H,20H2,(H,28,29).
What are the key properties of 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide?
2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 425.55 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-phenylmethoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2905293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).