N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide

C15H13N3O2S — CID 95983403

IUPACN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
SMILESO=C(NC[C@H](O)c1cccs1)c1cnc2ccccc2n1
InChIInChI=1S/C15H13N3O2S/c19-13(14-6-3-7-21-14)9-17-15(20)12-8-16-10-4-1-2-5-11(10)18-12/h1-8,13,19H,9H2,(H,17,20)/t13-/m0/s1
InChIKeyNIPFJNBFOCZJGD-ZDUSSCGKSA-N
MW299.36 g/mol
LogP2.15
Rot. Bonds4

About N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide (PubChem CID 95983403) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
PubChem CID95983403
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
SMILESO=C(NC[C@H](O)c1cccs1)c1cnc2ccccc2n1
InChIInChI=1S/C15H13N3O2S/c19-13(14-6-3-7-21-14)9-17-15(20)12-8-16-10-4-1-2-5-11(10)18-12/h1-8,13,19H,9H2,(H,17,20)/t13-/m0/s1
InChIKeyNIPFJNBFOCZJGD-ZDUSSCGKSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 95967203
N-(2-aminopropyl)quinoxaline-2-carboxamide
CID 107356511
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 71781584
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90603450
(2S)-2-amino-3-(quinoxaline-2-carbonylamino)propanoic acid
CID 67154498
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]quinoxaline-2-carboxamide
CID 90535046
N-(2-amino-3-methylbutyl)quinoxaline-2-carboxamide
CID 103807153
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]quinoxaline-2-carboxamide
CID 94159016
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide (CID 95983403) is N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide is O=C(NC[C@H](O)c1cccs1)c1cnc2ccccc2n1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide?
The InChIKey is NIPFJNBFOCZJGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13(14-6-3-7-21-14)9-17-15(20)12-8-16-10-4-1-2-5-11(10)18-12/h1-8,13,19H,9H2,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide?
N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 95983403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).