2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide

C19H17N3O3S — CID 102556340

IUPAC2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
SMILESO=C(CC1OCCc2ccsc21)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C19H17N3O3S/c23-17(11-16-19-13(4-8-24-16)5-9-26-19)22-14-2-1-3-15(10-14)25-18-12-20-6-7-21-18/h1-3,5-7,9-10,12,16H,4,8,11H2,(H,22,23)
InChIKeyMBTRUQPZHXDGMR-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.97
Rot. Bonds5

About 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide

2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide (PubChem CID 102556340) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
PubChem CID102556340
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
SMILESO=C(CC1OCCc2ccsc21)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C19H17N3O3S/c23-17(11-16-19-13(4-8-24-16)5-9-26-19)22-14-2-1-3-15(10-14)25-18-12-20-6-7-21-18/h1-3,5-7,9-10,12,16H,4,8,11H2,(H,22,23)
InChIKeyMBTRUQPZHXDGMR-UHFFFAOYSA-N
XLogP3.97
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556341
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 102556346
5-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 102556681
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412
N-(3-pyrazin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119720300
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 102558789
1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119287653
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
1-amino-3,3-dimethyl-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 155955394
N-[1-oxo-1-(3-pyrazin-2-yloxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 46468453

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide (CID 102556340) is 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide is O=C(CC1OCCc2ccsc21)Nc1cccc(Oc2cnccn2)c1.
What is the InChIKey of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide?
The InChIKey is MBTRUQPZHXDGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-17(11-16-19-13(4-8-24-16)5-9-26-19)22-14-2-1-3-15(10-14)25-18-12-20-6-7-21-18/h1-3,5-7,9-10,12,16H,4,8,11H2,(H,22,23).
What are the key properties of 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide?
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide is sourced from PubChem (CID 102556340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).