N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide

C17H14N4O3S — CID 71544772

IUPACN-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide
SMILESO=C(N[C@H]1CCOC1=O)c1cccc(-n2cc(-c3ccsc3)nn2)c1
InChIInChI=1S/C17H14N4O3S/c22-16(18-14-4-6-24-17(14)23)11-2-1-3-13(8-11)21-9-15(19-20-21)12-5-7-25-10-12/h1-3,5,7-10,14H,4,6H2,(H,18,22)/t14-/m0/s1
InChIKeyHGLFNKROYARFOZ-AWEZNQCLSA-N
MW354.39 g/mol
LogP2.04
Rot. Bonds4

About N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide

N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide (PubChem CID 71544772) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide
PubChem CID71544772
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide
SMILESO=C(N[C@H]1CCOC1=O)c1cccc(-n2cc(-c3ccsc3)nn2)c1
InChIInChI=1S/C17H14N4O3S/c22-16(18-14-4-6-24-17(14)23)11-2-1-3-13(8-11)21-9-15(19-20-21)12-5-7-25-10-12/h1-3,5,7-10,14H,4,6H2,(H,18,22)/t14-/m0/s1
InChIKeyHGLFNKROYARFOZ-AWEZNQCLSA-N
XLogP2.04
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide (CID 71544772) is N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide is O=C(N[C@H]1CCOC1=O)c1cccc(-n2cc(-c3ccsc3)nn2)c1.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide?
The InChIKey is HGLFNKROYARFOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-16(18-14-4-6-24-17(14)23)11-2-1-3-13(8-11)21-9-15(19-20-21)12-5-7-25-10-12/h1-3,5,7-10,14H,4,6H2,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide?
N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide has a molecular weight of 354.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-3-(4-thiophen-3-yltriazol-1-yl)benzamide is sourced from PubChem (CID 71544772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).