ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate

C17H24N2O6S — CID 7521382

IUPACethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate
SMILESCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)NC(=O)OCC
InChIInChI=1S/C17H24N2O6S/c1-5-8-9-11(20)18-15-12(14(21)19-17(23)25-7-3)10(4)13(26-15)16(22)24-6-2/h5-9H2,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyFUDUYWZHCDGFOY-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.25
Rot. Bonds8

About ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate

ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate (PubChem CID 7521382) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate
PubChem CID7521382
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Nameethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate
SMILESCCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)NC(=O)OCC
InChIInChI=1S/C17H24N2O6S/c1-5-8-9-11(20)18-15-12(14(21)19-17(23)25-7-3)10(4)13(26-15)16(22)24-6-2/h5-9H2,1-4H3,(H,18,20)(H,19,21,23)
InChIKeyFUDUYWZHCDGFOY-UHFFFAOYSA-N
XLogP3.25
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-(pentanoylamino)thiophene-2,4-dicarboxylate
CID 28694173
diethyl 5-(decanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 3123953
diethyl 5-(dodecanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 3349042
ethyl 4-(ethoxycarbonylcarbamoyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 41099914
ethyl 4-(methoxycarbonylcarbamoyl)-3-methyl-5-(3-phenylpropanoylamino)thiophene-2-carboxylate
CID 7521366
ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-[(4-methylbenzoyl)amino]thiophene-2-carboxylate
CID 7521374
ethyl 5-carbamoyl-2-(dodecanoylamino)-4-methylthiophene-3-carboxylate
CID 4060047
ethyl N-[2-(pentanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl]carbamate
CID 7521928
diethyl 5-(butoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 19172792
ethyl 5-(dimethylcarbamoyl)-2-(heptanoylamino)-4-methylthiophene-3-carboxylate
CID 5191754
4-O-ethyl 2-O-prop-2-enyl 5-(4-chlorobutanoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 4849876
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate?
The IUPAC name of ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate (CID 7521382) is ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate?
The canonical SMILES for ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate is CCCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)NC(=O)OCC.
What is the InChIKey of ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate?
The InChIKey is FUDUYWZHCDGFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-5-8-9-11(20)18-15-12(14(21)19-17(23)25-7-3)10(4)13(26-15)16(22)24-6-2/h5-9H2,1-4H3,(H,18,20)(H,19,21,23).
What are the key properties of ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate?
ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate has a molecular weight of 384.45 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethoxycarbonylcarbamoyl)-3-methyl-5-(pentanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 7521382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).