2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C15H14N4OS2 — CID 2491904

IUPAC2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C15H14N4OS2/c20-14(16-9-13-7-4-8-21-13)10-22-15-18-17-11-19(15)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20)
InChIKeyVYYNILAOYOHXSO-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.74
Rot. Bonds6

About 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2491904) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2491904
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC Name2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nncn1-c1ccccc1)NCc1cccs1
InChIInChI=1S/C15H14N4OS2/c20-14(16-9-13-7-4-8-21-13)10-22-15-18-17-11-19(15)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20)
InChIKeyVYYNILAOYOHXSO-UHFFFAOYSA-N
XLogP2.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661072
2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-(2-thienylmethyl)acetamide
CID 832346
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2343526
N-cyclohexyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16338648
N-cyclohexyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2407114
2-{[1-(4-Fluorophenyl)-1,2,3,4-tetrazol-5-YL]sulfanyl}-N-(thiophen-2-ylmethyl)acetamide
CID 859397
N-phenyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2660034
N-cyclopentyl-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2661065
N-cyclopropyl-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9463148
2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
CID 16229067
2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-F-PH)acetamide
CID 535375
2-{[4-methyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
CID 848410

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 2491904) is 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nncn1-c1ccccc1)NCc1cccs1.
What is the InChIKey of 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VYYNILAOYOHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c20-14(16-9-13-7-4-8-21-13)10-22-15-18-17-11-19(15)12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,16,20).
What are the key properties of 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 330.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2491904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).