2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

C20H15ClF2N2OS — CID 55890132

IUPAC2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF2N2OS/c21-14-4-7-17(8-5-14)27-13-20(26)25(12-16-3-1-2-10-24-16)19-9-6-15(22)11-18(19)23/h1-11H,12-13H2
InChIKeyTZOPBSRAIQRHQG-UHFFFAOYSA-N
MW404.87 g/mol
LogP5.34
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 55890132) has the molecular formula C20H15ClF2N2OS and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID55890132
Molecular FormulaC20H15ClF2N2OS
Molecular Weight404.87 g/mol
Exact Mass404.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N(Cc1ccccn1)c1ccc(F)cc1F
InChIInChI=1S/C20H15ClF2N2OS/c21-14-4-7-17(8-5-14)27-13-20(26)25(12-16-3-1-2-10-24-16)19-9-6-15(22)11-18(19)23/h1-11H,12-13H2
InChIKeyTZOPBSRAIQRHQG-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.87
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 55890132) is 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CSc1ccc(Cl)cc1)N(Cc1ccccn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is TZOPBSRAIQRHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2OS/c21-14-4-7-17(8-5-14)27-13-20(26)25(12-16-3-1-2-10-24-16)19-9-6-15(22)11-18(19)23/h1-11H,12-13H2.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 404.87 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 55890132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).