N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide

C21H19NO2S — CID 2886866

IUPACN-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2S/c1-24-19-15-9-8-14-18(19)22-21(23)20(16-10-4-2-5-11-16)25-17-12-6-3-7-13-17/h2-15,20H,1H3,(H,22,23)
InChIKeyGYICFNXDEQEEFQ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.17
Rot. Bonds6

About N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2886866) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2886866
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC NameN-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCOc1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2S/c1-24-19-15-9-8-14-18(19)22-21(23)20(16-10-4-2-5-11-16)25-17-12-6-3-7-13-17/h2-15,20H,1H3,(H,22,23)
InChIKeyGYICFNXDEQEEFQ-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2886866) is N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide is COc1ccccc1NC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is GYICFNXDEQEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-24-19-15-9-8-14-18(19)22-21(23)20(16-10-4-2-5-11-16)25-17-12-6-3-7-13-17/h2-15,20H,1H3,(H,22,23).
What are the key properties of N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 349.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2886866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).