N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide

C19H19N3O2S — CID 72890369

IUPACN-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C19H19N3O2S/c1-22(12-13-11-20-14-5-2-3-6-15(14)21-13)19(23)18-9-8-17(25-18)16-7-4-10-24-16/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3
InChIKeyJYTXBAGYICNKQA-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds4

About N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide

N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 72890369) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID72890369
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide
SMILESCN(Cc1cnc2ccccc2n1)C(=O)c1ccc(C2CCCO2)s1
InChIInChI=1S/C19H19N3O2S/c1-22(12-13-11-20-14-5-2-3-6-15(14)21-13)19(23)18-9-8-17(25-18)16-7-4-10-24-16/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3
InChIKeyJYTXBAGYICNKQA-UHFFFAOYSA-N
XLogP3.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-3-pyridinyl)methyl]-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72925065
N-methyl-5-[(2S)-oxolan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 97111991
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 50966435
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97153924
2-ethyl-N-methyl-N-(quinoxalin-2-ylmethyl)pyrimidine-5-carboxamide
CID 72878914
N-methyl-3-piperidin-3-yl-N-(quinoxalin-2-ylmethyl)benzamide
CID 72891203
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 77090443
N-methyl-1-[5-(oxan-2-yl)furan-2-yl]-N-(quinoxalin-2-ylmethyl)methanamine
CID 74240539
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-methyl-4-propan-2-yloxy-N-(quinoxalin-2-ylmethyl)benzamide
CID 90647316
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 72902804
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methyl-2-pyridinyl)methyl]thiophene-2,5-dicarboxamide
CID 166221831

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide (CID 72890369) is N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide is CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(C2CCCO2)s1.
What is the InChIKey of N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JYTXBAGYICNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(12-13-11-20-14-5-2-3-6-15(14)21-13)19(23)18-9-8-17(25-18)16-7-4-10-24-16/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3.
What are the key properties of N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide?
N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxolan-2-yl)-N-(quinoxalin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 72890369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).