2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide

C17H16ClF2NO2S — CID 55652814

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2S/c18-13-4-1-11(2-5-13)9-24-10-17(23)21-8-16(22)12-3-6-14(19)15(20)7-12/h1-7,16,22H,8-10H2,(H,21,23)
InChIKeyBPPCXGPYVYTZOP-UHFFFAOYSA-N
MW371.84 g/mol
LogP3.70
Rot. Bonds7

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 55652814) has the molecular formula C17H16ClF2NO2S and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide
PubChem CID55652814
Molecular FormulaC17H16ClF2NO2S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16ClF2NO2S/c18-13-4-1-11(2-5-13)9-24-10-17(23)21-8-16(22)12-3-6-14(19)15(20)7-12/h1-7,16,22H,8-10H2,(H,21,23)
InChIKeyBPPCXGPYVYTZOP-UHFFFAOYSA-N
XLogP3.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide (CID 55652814) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide is O=C(CSCc1ccc(Cl)cc1)NCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is BPPCXGPYVYTZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2S/c18-13-4-1-11(2-5-13)9-24-10-17(23)21-8-16(22)12-3-6-14(19)15(20)7-12/h1-7,16,22H,8-10H2,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 371.84 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 55652814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).