2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide

C15H15F2N5O2S — CID 31028646

IUPAC2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
SMILESNC(=O)Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CC1
InChIInChI=1S/C15H15F2N5O2S/c16-9-2-1-3-10(17)13(9)19-12(24)7-25-15-21-20-14(8-4-5-8)22(15)6-11(18)23/h1-3,8H,4-7H2,(H2,18,23)(H,19,24)
InChIKeyLPLPQFHIKCQRSL-UHFFFAOYSA-N
MW367.38 g/mol
LogP1.65
Rot. Bonds7

About 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide

2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide (PubChem CID 31028646) has the molecular formula C15H15F2N5O2S and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
PubChem CID31028646
Molecular FormulaC15H15F2N5O2S
Molecular Weight367.38 g/mol
Exact Mass367.09
IUPAC Name2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
SMILESNC(=O)Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CC1
InChIInChI=1S/C15H15F2N5O2S/c16-9-2-1-3-10(17)13(9)19-12(24)7-25-15-21-20-14(8-4-5-8)22(15)6-11(18)23/h1-3,8H,4-7H2,(H2,18,23)(H,19,24)
InChIKeyLPLPQFHIKCQRSL-UHFFFAOYSA-N
XLogP1.65
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide with MolForge

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Related Compounds

2-[3-cyclopropyl-5-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 31028583
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 855135
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 19726915
2-[3-cyclopropyl-5-[2-oxo-2-(2-phenylpropylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 42936026
2-[3-cyclopropyl-5-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 31029817
2-[3-cyclopropyl-5-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 42936021
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 2411931
2-[3-cyclopropyl-5-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide
CID 31029843
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-difluorophenyl)acetamide
CID 60732904
2-[[5-cyclopropyl-4-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 1457468
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 7426986
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 1457435

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide (CID 31028646) is 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide is NC(=O)Cn1c(SCC(=O)Nc2c(F)cccc2F)nnc1C1CC1.
What is the InChIKey of 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide?
The InChIKey is LPLPQFHIKCQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5O2S/c16-9-2-1-3-10(17)13(9)19-12(24)7-25-15-21-20-14(8-4-5-8)22(15)6-11(18)23/h1-3,8H,4-7H2,(H2,18,23)(H,19,24).
What are the key properties of 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide?
2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide has a molecular weight of 367.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 31028646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).