2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

C20H16ClNO2S — CID 1364321

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)
InChIKeyYYYLQCMRAYWNIB-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.86
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 1364321) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
PubChem CID1364321
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)
InChIKeyYYYLQCMRAYWNIB-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (CID 1364321) is 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is YYYLQCMRAYWNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 369.87 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 1364321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).