ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate

C22H28N2O6S — CID 2949492

IUPACethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C22H28N2O6S/c1-6-24(7-2)21(26)19-14(4)18(22(27)29-8-3)20(31-19)23-17(25)13-30-16-11-9-15(28-5)10-12-16/h9-12H,6-8,13H2,1-5H3,(H,23,25)
InChIKeyXVHHJWJMQUIINA-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.74
Rot. Bonds10

About ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate

ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate (PubChem CID 2949492) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
PubChem CID2949492
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Nameethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc(C(=O)N(CC)CC)c1C
InChIInChI=1S/C22H28N2O6S/c1-6-24(7-2)21(26)19-14(4)18(22(27)29-8-3)20(31-19)23-17(25)13-30-16-11-9-15(28-5)10-12-16/h9-12H,6-8,13H2,1-5H3,(H,23,25)
InChIKeyXVHHJWJMQUIINA-UHFFFAOYSA-N
XLogP3.74
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate with MolForge

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Related Compounds

Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699
ethyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-3-thiophenecarboxylate
CID 1010754
Methyl 2-[(5-bromo-2-furoyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
CID 1294670
methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
Ethyl 5-amino-4-((2-methoxyphenyl)carbamoyl)-3-methylthiophene-2-carboxylate
CID 828966
Ethyl 5,5,7,7-tetramethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylate
CID 2314843
Methyl 2-{[(4-methoxyphenoxy)acetyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2789232
Ethyl 2-amino-5-[(3-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 714560
Ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 709464
2-[(Furan-2-carbonyl)-amino]-4-methyl-5-(pyrrolidine-1-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 644777
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
Ethyl 2-{[(2-isopropyl-5-methylphenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 978678

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate (CID 2949492) is ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccc(OC)cc2)sc(C(=O)N(CC)CC)c1C.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate?
The InChIKey is XVHHJWJMQUIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-6-24(7-2)21(26)19-14(4)18(22(27)29-8-3)20(31-19)23-17(25)13-30-16-11-9-15(28-5)10-12-16/h9-12H,6-8,13H2,1-5H3,(H,23,25).
What are the key properties of ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate?
ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate has a molecular weight of 448.54 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 2949492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).