N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide

C20H13N5O2S — CID 53032006

IUPACN-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1)c1cccs1
InChIInChI=1S/C20H13N5O2S/c26-19(17-9-4-10-28-17)22-13-5-3-6-14(11-13)27-20-18-24-21-12-25(18)16-8-2-1-7-15(16)23-20/h1-12H,(H,22,26)
InChIKeyQBHYCYJNMLFZDA-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.38
Rot. Bonds4

About N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide

N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide (PubChem CID 53032006) has the molecular formula C20H13N5O2S and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide
PubChem CID53032006
Molecular FormulaC20H13N5O2S
Molecular Weight387.42 g/mol
Exact Mass387.08
IUPAC NameN-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1)c1cccs1
InChIInChI=1S/C20H13N5O2S/c26-19(17-9-4-10-28-17)22-13-5-3-6-14(11-13)27-20-18-24-21-12-25(18)16-8-2-1-7-15(16)23-20/h1-12H,(H,22,26)
InChIKeyQBHYCYJNMLFZDA-UHFFFAOYSA-N
XLogP4.38
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
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CID 24658002
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
N-[2-(4-methoxyphenyl)benzotriazol-5-yl]thiophene-2-carboxamide
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N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
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CID 1273133
N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56580014
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
N-[3-[[2-(tetrazol-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 134042808

Frequently Asked Questions

What is the IUPAC name of N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide (CID 53032006) is N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1)c1cccs1.
What is the InChIKey of N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide?
The InChIKey is QBHYCYJNMLFZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2S/c26-19(17-9-4-10-28-17)22-13-5-3-6-14(11-13)27-20-18-24-21-12-25(18)16-8-2-1-7-15(16)23-20/h1-12H,(H,22,26).
What are the key properties of N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide?
N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 53032006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).