2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

C22H26F2N2OS2 — CID 23365663

IUPAC2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H26F2N2OS2/c1-14-13-18(28-2)19(20(25-14)29-3)26-21(27)22(23,24)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,26,27)
InChIKeyQQBIZOIVFWAPGO-UHFFFAOYSA-N
MW436.59 g/mol
LogP6.61
Rot. Bonds6

About 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide

2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (PubChem CID 23365663) has the molecular formula C22H26F2N2OS2 and a molecular weight of 436.59 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
PubChem CID23365663
Molecular FormulaC22H26F2N2OS2
Molecular Weight436.59 g/mol
Exact Mass436.15
IUPAC Name2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide
SMILESCSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H26F2N2OS2/c1-14-13-18(28-2)19(20(25-14)29-3)26-21(27)22(23,24)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,26,27)
InChIKeyQQBIZOIVFWAPGO-UHFFFAOYSA-N
XLogP6.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.59
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide 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 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide (CID 23365663) is 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is CSc1cc(C)nc(SC)c1NC(=O)C(F)(F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
The InChIKey is QQBIZOIVFWAPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2OS2/c1-14-13-18(28-2)19(20(25-14)29-3)26-21(27)22(23,24)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h9-13,15H,4-8H2,1-3H3,(H,26,27).
What are the key properties of 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide?
2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide has a molecular weight of 436.59 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2,2-difluoro-N-[6-methyl-2,4-bis(methylsulfanyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 23365663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).