4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

C15H16F2N4O3S — CID 7675657

IUPAC4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCC(C)n1cnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N4O3S/c1-9(2)21-8-18-20-15(21)25-7-12(22)19-13(23)10-3-5-11(6-4-10)24-14(16)17/h3-6,8-9,14H,7H2,1-2H3,(H,19,22,23)
InChIKeyZBGYIVNEWIMMKV-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.51
Rot. Bonds7

About 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide

4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (PubChem CID 7675657) has the molecular formula C15H16F2N4O3S and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
PubChem CID7675657
Molecular FormulaC15H16F2N4O3S
Molecular Weight370.38 g/mol
Exact Mass370.09
IUPAC Name4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide
SMILESCC(C)n1cnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N4O3S/c1-9(2)21-8-18-20-15(21)25-7-12(22)19-13(23)10-3-5-11(6-4-10)24-14(16)17/h3-6,8-9,14H,7H2,1-2H3,(H,19,22,23)
InChIKeyZBGYIVNEWIMMKV-UHFFFAOYSA-N
XLogP2.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide (CID 7675657) is 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is CC(C)n1cnnc1SCC(=O)NC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
The InChIKey is ZBGYIVNEWIMMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3S/c1-9(2)21-8-18-20-15(21)25-7-12(22)19-13(23)10-3-5-11(6-4-10)24-14(16)17/h3-6,8-9,14H,7H2,1-2H3,(H,19,22,23).
What are the key properties of 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide?
4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide has a molecular weight of 370.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide is sourced from PubChem (CID 7675657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).