N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H10F2N4OS — CID 703294

IUPACN-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N4OS/c1-17-6-14-16-11(17)19-5-10(18)15-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyDODCRDLBCYJZOS-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.82
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 703294) has the molecular formula C11H10F2N4OS and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID703294
Molecular FormulaC11H10F2N4OS
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC NameN-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C11H10F2N4OS/c1-17-6-14-16-11(17)19-5-10(18)15-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,15,18)
InChIKeyDODCRDLBCYJZOS-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 703294) is N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DODCRDLBCYJZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4OS/c1-17-6-14-16-11(17)19-5-10(18)15-9-3-2-7(12)4-8(9)13/h2-4,6H,5H2,1H3,(H,15,18).
What are the key properties of N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 284.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 703294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).