2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide

C18H20F2N2O2S — CID 55717744

IUPAC2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccnc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O2S/c1-11(2)24-14-7-4-6-13(10-14)12(3)22-16(23)15-8-5-9-21-17(15)25-18(19)20/h4-12,18H,1-3H3,(H,22,23)
InChIKeySKEBFGXZQREUHC-UHFFFAOYSA-N
MW366.43 g/mol
LogP4.67
Rot. Bonds7

About 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 55717744) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID55717744
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC Name2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(C(C)NC(=O)c2cccnc2SC(F)F)c1
InChIInChI=1S/C18H20F2N2O2S/c1-11(2)24-14-7-4-6-13(10-14)12(3)22-16(23)15-8-5-9-21-17(15)25-18(19)20/h4-12,18H,1-3H3,(H,22,23)
InChIKeySKEBFGXZQREUHC-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 55475285
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
CID 18195043
2-bromo-4-fluoro-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 51727732
N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 40789357
2-(difluoromethylsulfanyl)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide
CID 55934068
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55743462
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-methylpyridine-3-carboxamide
CID 133316843
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide (CID 55717744) is 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide is CC(C)Oc1cccc(C(C)NC(=O)c2cccnc2SC(F)F)c1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is SKEBFGXZQREUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-11(2)24-14-7-4-6-13(10-14)12(3)22-16(23)15-8-5-9-21-17(15)25-18(19)20/h4-12,18H,1-3H3,(H,22,23).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).