(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide

C17H19N3O3S — CID 16661012

IUPAC(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)[C@H]1C(=O)Nc2cc(C(=O)NO)ccc2N1Cc1cccs1
InChIInChI=1S/C17H19N3O3S/c1-10(2)15-17(22)18-13-8-11(16(21)19-23)5-6-14(13)20(15)9-12-4-3-7-24-12/h3-8,10,15,23H,9H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyWAABEKBNHNJIMT-HNNXBMFYSA-N
MW345.42 g/mol
LogP2.85
Rot. Bonds4

About (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide

(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 16661012) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID16661012
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC(C)[C@H]1C(=O)Nc2cc(C(=O)NO)ccc2N1Cc1cccs1
InChIInChI=1S/C17H19N3O3S/c1-10(2)15-17(22)18-13-8-11(16(21)19-23)5-6-14(13)20(15)9-12-4-3-7-24-12/h3-8,10,15,23H,9H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1
InChIKeyWAABEKBNHNJIMT-HNNXBMFYSA-N
XLogP2.85
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

CID 58916434
CID 58916434
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056
N-hydroxy-3-oxo-2-propan-2-yl-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 73301125
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 16660851
6-butan-2-yl-3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885668
(3S)-4-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 141170214
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 58055557
3-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzoic acid
CID 58916438
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64885635
phenyl 6-[(2-aminocyclohexyl)carbamoyl]-3-oxo-2-propan-2-yl-2,4-dihydroquinoxaline-1-carboxylate
CID 23736294
N-(3-amino-2,2-dimethylpropyl)-2-butan-2-yl-1-(cyclopropanecarbonyl)-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 23903118

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide (CID 16661012) is (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide is CC(C)[C@H]1C(=O)Nc2cc(C(=O)NO)ccc2N1Cc1cccs1.
What is the InChIKey of (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is WAABEKBNHNJIMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10(2)15-17(22)18-13-8-11(16(21)19-23)5-6-14(13)20(15)9-12-4-3-7-24-12/h3-8,10,15,23H,9H2,1-2H3,(H,18,22)(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide?
(2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-3-oxo-2-propan-2-yl-1-(thiophen-2-ylmethyl)-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 16661012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).