N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

C21H17FN2O2S — CID 91937262

IUPACN-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H17FN2O2S/c1-14-2-4-15(5-3-14)19(25)13-27-20-11-6-16(12-23-20)21(26)24-18-9-7-17(22)8-10-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyCMSZDNPBHRODCF-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.76
Rot. Bonds6

About N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide

N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (PubChem CID 91937262) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
PubChem CID91937262
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C21H17FN2O2S/c1-14-2-4-15(5-3-14)19(25)13-27-20-11-6-16(12-23-20)21(26)24-18-9-7-17(22)8-10-18/h2-12H,13H2,1H3,(H,24,26)
InChIKeyCMSZDNPBHRODCF-UHFFFAOYSA-N
XLogP4.76
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide (CID 91937262) is N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is Cc1ccc(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is CMSZDNPBHRODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c1-14-2-4-15(5-3-14)19(25)13-27-20-11-6-16(12-23-20)21(26)24-18-9-7-17(22)8-10-18/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).