2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide

C18H17F2NO2S — CID 71917071

IUPAC2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide
SMILESO=C(CS(=O)c1ccc(F)c(F)c1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H17F2NO2S/c19-15-8-7-14(11-16(15)20)24(23)12-17(22)21-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,21,22)
InChIKeyPIGGWUGJGHFPAZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.27
Rot. Bonds5

About 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide

2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide (PubChem CID 71917071) has the molecular formula C18H17F2NO2S and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide
PubChem CID71917071
Molecular FormulaC18H17F2NO2S
Molecular Weight349.40 g/mol
Exact Mass349.09
IUPAC Name2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide
SMILESO=C(CS(=O)c1ccc(F)c(F)c1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H17F2NO2S/c19-15-8-7-14(11-16(15)20)24(23)12-17(22)21-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,21,22)
InChIKeyPIGGWUGJGHFPAZ-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide (CID 71917071) is 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide is O=C(CS(=O)c1ccc(F)c(F)c1)NC1(c2ccccc2)CCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide?
The InChIKey is PIGGWUGJGHFPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2S/c19-15-8-7-14(11-16(15)20)24(23)12-17(22)21-18(9-4-10-18)13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,21,22).
What are the key properties of 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide?
2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide has a molecular weight of 349.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfinyl-N-(1-phenylcyclobutyl)acetamide is sourced from PubChem (CID 71917071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).