ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate

C18H23NO4S — CID 943143

IUPACethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc(C)c1C
InChIInChI=1S/C18H23NO4S/c1-5-13-7-8-14(23-13)9-10-15(20)19-17-16(18(21)22-6-2)11(3)12(4)24-17/h7-8H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyPDKNDDNVRANJIM-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.27
Rot. Bonds7

About ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 943143) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID943143
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Nameethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc(C)c1C
InChIInChI=1S/C18H23NO4S/c1-5-13-7-8-14(23-13)9-10-15(20)19-17-16(18(21)22-6-2)11(3)12(4)24-17/h7-8H,5-6,9-10H2,1-4H3,(H,19,20)
InChIKeyPDKNDDNVRANJIM-UHFFFAOYSA-N
XLogP4.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(aminocarbonyl)-3-methyl-5-[(2-methyl-3-furoyl)amino]thiophene-2-carboxylate
CID 903585
Ethyl 2-amino-4-(2-furyl)thiophene-3-carboxylate
CID 736628
Ethyl 2-amino-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 706051
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 742170
Methyl 5-ethyl-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1246443
Ethyl 2-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate
CID 2465521
Isopropyl 2-(2-furoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 673536
Isopropyl 2-{[3-(2-furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 897188
Ethyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(2-methyl-3-furoyl)amino]-3-thiophenecarboxylate
CID 1001290
methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-methyl-3-furamide
CID 2862590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate (CID 943143) is ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CCc2ccc(CC)o2)sc(C)c1C.
What is the InChIKey of ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is PDKNDDNVRANJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-13-7-8-14(23-13)9-10-15(20)19-17-16(18(21)22-6-2)11(3)12(4)24-17/h7-8H,5-6,9-10H2,1-4H3,(H,19,20).
What are the key properties of ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(5-ethylfuran-2-yl)propanoylamino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 943143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).