4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide

C24H22FN5OS — CID 26348541

IUPAC4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)nnc1SCc1ccccn1
InChIInChI=1S/C24H22FN5OS/c1-30-22(28-29-24(30)32-16-21-4-2-3-14-26-21)13-15-27-23(31)19-7-5-17(6-8-19)18-9-11-20(25)12-10-18/h2-12,14H,13,15-16H2,1H3,(H,27,31)
InChIKeyLIZDULAJIWJMGV-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.28
Rot. Bonds8

About 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide

4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide (PubChem CID 26348541) has the molecular formula C24H22FN5OS and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
PubChem CID26348541
Molecular FormulaC24H22FN5OS
Molecular Weight447.54 g/mol
Exact Mass447.15
IUPAC Name4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)nnc1SCc1ccccn1
InChIInChI=1S/C24H22FN5OS/c1-30-22(28-29-24(30)32-16-21-4-2-3-14-26-21)13-15-27-23(31)19-7-5-17(6-8-19)18-9-11-20(25)12-10-18/h2-12,14H,13,15-16H2,1H3,(H,27,31)
InChIKeyLIZDULAJIWJMGV-UHFFFAOYSA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide with MolForge

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Related Compounds

3-(3-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26403563
N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
CID 26359731
N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]pent-4-enamide
CID 42432645
3-fluoro-N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26335912
4-chloro-N-[2-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 17019975
2-fluoro-N-[2-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 4555019
N-[2-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzamide
CID 17019474
4-chloro-N-[2-[5-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 2214095
4-methoxy-N-[2-[4-methyl-5-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]benzamide
CID 135410570
N-[2-[5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 17019683
2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 35532260
(2R)-2-cyclopentyl-N-[[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2-phenylacetamide
CID 26344967

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide (CID 26348541) is 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide is Cn1c(CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)nnc1SCc1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
The InChIKey is LIZDULAJIWJMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5OS/c1-30-22(28-29-24(30)32-16-21-4-2-3-14-26-21)13-15-27-23(31)19-7-5-17(6-8-19)18-9-11-20(25)12-10-18/h2-12,14H,13,15-16H2,1H3,(H,27,31).
What are the key properties of 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide?
4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 26348541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).