3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

C20H16N4O2S — CID 55670767

IUPAC3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C20H16N4O2S/c25-20(23-16-6-8-17(9-7-16)24-14-21-13-22-24)15-3-1-4-18(11-15)26-12-19-5-2-10-27-19/h1-11,13-14H,12H2,(H,23,25)
InChIKeyITEPICLDESBWHJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.16
Rot. Bonds6

About 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide

3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 55670767) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID55670767
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)c1cccc(OCc2cccs2)c1
InChIInChI=1S/C20H16N4O2S/c25-20(23-16-6-8-17(9-7-16)24-14-21-13-22-24)15-3-1-4-18(11-15)26-12-19-5-2-10-27-19/h1-11,13-14H,12H2,(H,23,25)
InChIKeyITEPICLDESBWHJ-UHFFFAOYSA-N
XLogP4.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37121591
N-(3-fluoro-4-imidazol-1-ylphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55956042
3-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 60927071
3-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]benzamide
CID 69123933
2-(phenoxymethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55566637
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55879396
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
N-[2-chloro-5-[[4-(1,2,4-triazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 37122573
3-(2,2-dimethylpropanoylamino)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 37120344
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 49033817
2-chloro-N-[4-(1,2,4-triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 30765929
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethoxy)benzamide
CID 56581143

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 55670767) is 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cncn2)cc1)c1cccc(OCc2cccs2)c1.
What is the InChIKey of 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is ITEPICLDESBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-20(23-16-6-8-17(9-7-16)24-14-21-13-22-24)15-3-1-4-18(11-15)26-12-19-5-2-10-27-19/h1-11,13-14H,12H2,(H,23,25).
What are the key properties of 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide?
3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 376.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethoxy)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55670767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).