N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

C21H24N2O4S — CID 8678042

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccco2)Cc2cccs2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-25-19-8-7-16(11-20(19)26-2)12-22-21(24)15-23(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyPPNSOLXCEPJFIH-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.68
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 8678042) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID8678042
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccco2)Cc2cccs2)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-25-19-8-7-16(11-20(19)26-2)12-22-21(24)15-23(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyPPNSOLXCEPJFIH-UHFFFAOYSA-N
XLogP3.68
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
2-[bis(furan-2-ylmethyl)amino]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 24574981
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-methylacetamide
CID 29233310
3-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 113122049
2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-N-(3-phenylmethoxypropyl)acetamide
CID 24574934
3-[(3,4-dimethoxyphenyl)methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 50969709
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 31833854
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 41375506
2-[[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111201806
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium
CID 8677873
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide (CID 8678042) is N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(CNC(=O)CN(Cc2ccco2)Cc2cccs2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is PPNSOLXCEPJFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-25-19-8-7-16(11-20(19)26-2)12-22-21(24)15-23(13-17-5-3-9-27-17)14-18-6-4-10-28-18/h3-11H,12-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 400.50 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 8678042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).