ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate

C25H28N2O6S — CID 154859579

IUPACethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C25H28N2O6S/c1-6-32-25(30)21-15(2)22(24(29)27(3)4)34-23(21)26-20(28)14-12-18-11-13-19(33-18)16-7-9-17(31-5)10-8-16/h7-11,13H,6,12,14H2,1-5H3,(H,26,28)
InChIKeyWIEPSYMUBOZXNO-UHFFFAOYSA-N
MW484.57 g/mol
LogP4.77
Rot. Bonds9

About ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate (PubChem CID 154859579) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate
PubChem CID154859579
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC Nameethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C25H28N2O6S/c1-6-32-25(30)21-15(2)22(24(29)27(3)4)34-23(21)26-20(28)14-12-18-11-13-19(33-18)16-7-9-17(31-5)10-8-16/h7-11,13H,6,12,14H2,1-5H3,(H,26,28)
InChIKeyWIEPSYMUBOZXNO-UHFFFAOYSA-N
XLogP4.77
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-(dimethylcarbamoyl)-2-[[4-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-4-oxobutanoyl]amino]-4-methylthiophene-3-carboxylate
CID 5143266
ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
CID 880151
ethyl 2-(3-chloropropanoylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3354966
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
ethyl 5-(dimethylcarbamoyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-4-methylthiophene-3-carboxylate
CID 6186022
ethyl 5-(dimethylcarbamoyl)-2-(heptanoylamino)-4-methylthiophene-3-carboxylate
CID 5191754
N-(3,5-dimethylphenyl)-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
CID 22587459
[2-[[5-(dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647713
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 24524663
ethyl 2-[[2-(4-tert-butylbenzoyl)oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3925553
ethyl 5-(dimethylcarbamoyl)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 26196881
ethyl 2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 17469407

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate (CID 154859579) is ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccc(OC)cc3)o2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate?
The InChIKey is WIEPSYMUBOZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-6-32-25(30)21-15(2)22(24(29)27(3)4)34-23(21)26-20(28)14-12-18-11-13-19(33-18)16-7-9-17(31-5)10-8-16/h7-11,13H,6,12,14H2,1-5H3,(H,26,28).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate has a molecular weight of 484.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 154859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).