N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C20H21N3O2S — CID 119105871

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccco2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14(2)26-16-7-5-15(6-8-16)12-19(24)23-13-17-20(22-10-9-21-17)18-4-3-11-25-18/h3-11,14H,12-13H2,1-2H3,(H,23,24)
InChIKeyMQRZWJTVBKXUOV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.10
Rot. Bonds7

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 119105871) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID119105871
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccco2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14(2)26-16-7-5-15(6-8-16)12-19(24)23-13-17-20(22-10-9-21-17)18-4-3-11-25-18/h3-11,14H,12-13H2,1-2H3,(H,23,24)
InChIKeyMQRZWJTVBKXUOV-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121198894
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
3-(4-bromophenyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]propanamide
CID 121198786
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
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
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-methylbenzamide
CID 121023120

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 119105871) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCc2nccnc2-c2ccco2)cc1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is MQRZWJTVBKXUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(2)26-16-7-5-15(6-8-16)12-19(24)23-13-17-20(22-10-9-21-17)18-4-3-11-25-18/h3-11,14H,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.10, 7 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]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 119105871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).