N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

C20H21NO3S — CID 90495647

IUPACN-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CCc2cccs2)Cc2ccco2)c1
InChIInChI=1S/C20H21NO3S/c1-16-5-2-6-17(13-16)24-15-20(22)21(14-18-7-3-11-23-18)10-9-19-8-4-12-25-19/h2-8,11-13H,9-10,14-15H2,1H3
InChIKeyDIZLRSWSBILTCY-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.30
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide

N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 90495647) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID90495647
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESCc1cccc(OCC(=O)N(CCc2cccs2)Cc2ccco2)c1
InChIInChI=1S/C20H21NO3S/c1-16-5-2-6-17(13-16)24-15-20(22)21(14-18-7-3-11-23-18)10-9-19-8-4-12-25-19/h2-8,11-13H,9-10,14-15H2,1H3
InChIKeyDIZLRSWSBILTCY-UHFFFAOYSA-N
XLogP4.30
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 71781332
N-cyclopropyl-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90496022
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
3-ethoxy-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35526706
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 26355022
N-(C-ethenyl-N-methylcarbonimidoyl)-2-(3-methylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 145284544
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(3,5-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495815
2-(3-methylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55438272
3-(2-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)propanamide
CID 72717883

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 90495647) is N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is Cc1cccc(OCC(=O)N(CCc2cccs2)Cc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is DIZLRSWSBILTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-16-5-2-6-17(13-16)24-15-20(22)21(14-18-7-3-11-23-18)10-9-19-8-4-12-25-19/h2-8,11-13H,9-10,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide?
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 90495647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).