4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide

C18H19NO2S — CID 51273167

IUPAC4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
SMILESCS(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H19NO2S/c1-22(21)16-10-8-14(9-11-16)17(20)19-18(12-5-13-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,20)
InChIKeyABHBIEYUHDTRMI-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.23
Rot. Bonds4

About 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide

4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide (PubChem CID 51273167) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
PubChem CID51273167
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
SMILESCS(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H19NO2S/c1-22(21)16-10-8-14(9-11-16)17(20)19-18(12-5-13-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,20)
InChIKeyABHBIEYUHDTRMI-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide?
The IUPAC name of 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide (CID 51273167) is 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide.
What is the SMILES notation for 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide?
The canonical SMILES for 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide is CS(=O)c1ccc(C(=O)NC2(c3ccccc3)CCC2)cc1.
What is the InChIKey of 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide?
The InChIKey is ABHBIEYUHDTRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-22(21)16-10-8-14(9-11-16)17(20)19-18(12-5-13-18)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,20).
What are the key properties of 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide?
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide has a molecular weight of 313.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide is sourced from PubChem (CID 51273167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).