N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

C15H19FN4O2S — CID 86821376

IUPACN-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(COc1ccc(F)cc1)NC(=O)C(C)Sc1nncn1C
InChIInChI=1S/C15H19FN4O2S/c1-10(8-22-13-6-4-12(16)5-7-13)18-14(21)11(2)23-15-19-17-9-20(15)3/h4-7,9-11H,8H2,1-3H3,(H,18,21)
InChIKeyAXUSBFOCZIZJPO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.02
Rot. Bonds7

About N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (PubChem CID 86821376) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
PubChem CID86821376
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC NameN-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
SMILESCC(COc1ccc(F)cc1)NC(=O)C(C)Sc1nncn1C
InChIInChI=1S/C15H19FN4O2S/c1-10(8-22-13-6-4-12(16)5-7-13)18-14(21)11(2)23-15-19-17-9-20(15)3/h4-7,9-11H,8H2,1-3H3,(H,18,21)
InChIKeyAXUSBFOCZIZJPO-UHFFFAOYSA-N
XLogP2.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide (CID 86821376) is N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is CC(COc1ccc(F)cc1)NC(=O)C(C)Sc1nncn1C.
What is the InChIKey of N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
The InChIKey is AXUSBFOCZIZJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-10(8-22-13-6-4-12(16)5-7-13)18-14(21)11(2)23-15-19-17-9-20(15)3/h4-7,9-11H,8H2,1-3H3,(H,18,21).
What are the key properties of N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide?
N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenoxy)propan-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 86821376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).