2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide

C18H17FN4OS — CID 124891580

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H17FN4OS/c19-15-6-8-16(9-7-15)25-13-18(24)22-17(12-23-20-10-11-21-23)14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyDIMGSPVBSKUUCG-QGZVFWFLSA-N
MW356.43 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide (PubChem CID 124891580) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
PubChem CID124891580
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)N[C@H](Cn1nccn1)c1ccccc1
InChIInChI=1S/C18H17FN4OS/c19-15-6-8-16(9-7-15)25-13-18(24)22-17(12-23-20-10-11-21-23)14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyDIMGSPVBSKUUCG-QGZVFWFLSA-N
XLogP3.07
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide (CID 124891580) is 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide is O=C(CSc1ccc(F)cc1)N[C@H](Cn1nccn1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
The InChIKey is DIMGSPVBSKUUCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-15-6-8-16(9-7-15)25-13-18(24)22-17(12-23-20-10-11-21-23)14-4-2-1-3-5-14/h1-11,17H,12-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 124891580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).