N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C20H17N3O2S — CID 74496936

IUPACN-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C20H17N3O2S/c24-19(7-6-16-4-2-10-26-16)23-12-15-11-14-3-1-5-17(20(14)25-15)18-13-21-8-9-22-18/h1-10,13,15H,11-12H2,(H,23,24)
InChIKeyBMJYDHOUNLFWKC-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.34
Rot. Bonds5

About N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide

N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 74496936) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID74496936
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1Cc2cccc(-c3cnccn3)c2O1
InChIInChI=1S/C20H17N3O2S/c24-19(7-6-16-4-2-10-26-16)23-12-15-11-14-3-1-5-17(20(14)25-15)18-13-21-8-9-22-18/h1-10,13,15H,11-12H2,(H,23,24)
InChIKeyBMJYDHOUNLFWKC-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[(2S)-5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42368240
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126467404
3-pyridin-4-yl-N-[[7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 74501481
(E)-3-pyridin-4-yl-N-[[(2R)-7-(1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 26356793
3-oxo-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,2-dihydroindene-1-carboxamide
CID 126462892
(E)-N-[[(2R)-5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-fluorophenyl)prop-2-enamide
CID 42246124
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 45166829
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 45190536
1,5-dimethyl-N-[[(2R)-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrazole-3-carboxamide
CID 42376585
2-(1-oxo-4-phenylphthalazin-2-yl)-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45246052
(E)-N-[(5-chloro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 45173442
3-(3-fluorophenyl)-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 74780992

Frequently Asked Questions

What is the IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 74496936) is N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCC1Cc2cccc(-c3cnccn3)c2O1.
What is the InChIKey of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BMJYDHOUNLFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-19(7-6-16-4-2-10-26-16)23-12-15-11-14-3-1-5-17(20(14)25-15)18-13-21-8-9-22-18/h1-10,13,15H,11-12H2,(H,23,24).
What are the key properties of N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 363.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 74496936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).