ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate

C17H21NO4S — CID 880151

IUPACethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C
InChIInChI=1S/C17H21NO4S/c1-5-21-17(20)15-11(3)12(4)23-16(15)18-14(19)9-8-13-7-6-10(2)22-13/h6-7H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyHWXPCPIHLHGTDN-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.01
Rot. Bonds6

About ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate (PubChem CID 880151) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
PubChem CID880151
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Nameethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C
InChIInChI=1S/C17H21NO4S/c1-5-21-17(20)15-11(3)12(4)23-16(15)18-14(19)9-8-13-7-6-10(2)22-13/h6-7H,5,8-9H2,1-4H3,(H,18,19)
InChIKeyHWXPCPIHLHGTDN-UHFFFAOYSA-N
XLogP4.01
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 896051
ethyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 829701
ethyl 5-(dimethylcarbamoyl)-2-[3-[5-(4-methoxyphenyl)furan-2-yl]propanoylamino]-4-methylthiophene-3-carboxylate
CID 154859579
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162
methyl 5-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate
CID 16649179
ethyl 2-(6-aminohexanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 61259644
ethyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8719684
ethyl 4,5-dimethyl-2-(3-phenylsulfanylpropanoylamino)thiophene-3-carboxylate
CID 2473560
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
ethyl 2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 17354588
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
ethyl 2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 24630656

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate (CID 880151) is ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CCc2ccc(C)o2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
The InChIKey is HWXPCPIHLHGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-5-21-17(20)15-11(3)12(4)23-16(15)18-14(19)9-8-13-7-6-10(2)22-13/h6-7H,5,8-9H2,1-4H3,(H,18,19).
What are the key properties of ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate has a molecular weight of 335.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[3-(5-methylfuran-2-yl)propanoylamino]thiophene-3-carboxylate is sourced from PubChem (CID 880151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).