N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide

C20H15N3O2S — CID 119105875

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
SMILESO=C(NCc1nccnc1-c1ccco1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H15N3O2S/c24-20(15-7-5-14(6-8-15)18-4-2-12-26-18)23-13-16-19(22-10-9-21-16)17-3-1-11-25-17/h1-12H,13H2,(H,23,24)
InChIKeyPVNXWNDQIODZOH-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.40
Rot. Bonds5

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide (PubChem CID 119105875) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
PubChem CID119105875
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
SMILESO=C(NCc1nccnc1-c1ccco1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H15N3O2S/c24-20(15-7-5-14(6-8-15)18-4-2-12-26-18)23-13-16-19(22-10-9-21-16)17-3-1-11-25-17/h1-12H,13H2,(H,23,24)
InChIKeyPVNXWNDQIODZOH-UHFFFAOYSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-thiophen-2-yl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162295
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198864
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 121198817
5-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 119105906
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-pyrazol-1-ylbenzamide
CID 119105900

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide (CID 119105875) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide is O=C(NCc1nccnc1-c1ccco1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide?
The InChIKey is PVNXWNDQIODZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-20(15-7-5-14(6-8-15)18-4-2-12-26-18)23-13-16-19(22-10-9-21-16)17-3-1-11-25-17/h1-12H,13H2,(H,23,24).
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide has a molecular weight of 361.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 119105875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).