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

C22H21NO2S — CID 3769097

IUPACN-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-2-25-19-15-13-18(14-16-19)23-22(24)21(17-9-5-3-6-10-17)26-20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)
InChIKeyDOHVABKMNVLNOQ-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.56
Rot. Bonds7

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

N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 3769097) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID3769097
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-2-25-19-15-13-18(14-16-19)23-22(24)21(17-9-5-3-6-10-17)26-20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24)
InChIKeyDOHVABKMNVLNOQ-UHFFFAOYSA-N
XLogP5.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 3769097) is N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide is CCOc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is DOHVABKMNVLNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-2-25-19-15-13-18(14-16-19)23-22(24)21(17-9-5-3-6-10-17)26-20-11-7-4-8-12-20/h3-16,21H,2H2,1H3,(H,23,24).
What are the key properties of N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(4-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 363.48 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-ethoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 3769097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).