2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

C22H21FN2OS — CID 18209283

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C22H21FN2OS/c1-15-9-10-18(14-16(15)2)27-22-19(7-5-12-25-22)21(26)24-13-11-17-6-3-4-8-20(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)
InChIKeyVLKHSODPZSJCNY-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.96
Rot. Bonds6

About 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide

2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 18209283) has the molecular formula C22H21FN2OS and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID18209283
Molecular FormulaC22H21FN2OS
Molecular Weight380.49 g/mol
Exact Mass380.14
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)NCCc2ccccc2F)cc1C
InChIInChI=1S/C22H21FN2OS/c1-15-9-10-18(14-16(15)2)27-22-19(7-5-12-25-22)21(26)24-13-11-17-6-3-4-8-20(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)
InChIKeyVLKHSODPZSJCNY-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide (CID 18209283) is 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)NCCc2ccccc2F)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VLKHSODPZSJCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2OS/c1-15-9-10-18(14-16(15)2)27-22-19(7-5-12-25-22)21(26)24-13-11-17-6-3-4-8-20(17)23/h3-10,12,14H,11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 18209283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).