ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate

C16H24N2O5S — CID 2165590

IUPACethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC
InChIInChI=1S/C16H24N2O5S/c1-6-18(7-2)14(19)12-10(5)11(15(20)22-8-3)13(24-12)17-16(21)23-9-4/h6-9H2,1-5H3,(H,17,21)
InChIKeyUZDHTEDHKGMFJC-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.28
Rot. Bonds7

About ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate

ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate (PubChem CID 2165590) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate
PubChem CID2165590
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Nameethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate
SMILESCCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC
InChIInChI=1S/C16H24N2O5S/c1-6-18(7-2)14(19)12-10(5)11(15(20)22-8-3)13(24-12)17-16(21)23-9-4/h6-9H2,1-5H3,(H,17,21)
InChIKeyUZDHTEDHKGMFJC-UHFFFAOYSA-N
XLogP3.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate (CID 2165590) is ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate is CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC.
What is the InChIKey of ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is UZDHTEDHKGMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-6-18(7-2)14(19)12-10(5)11(15(20)22-8-3)13(24-12)17-16(21)23-9-4/h6-9H2,1-5H3,(H,17,21).
What are the key properties of ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate?
ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 356.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylcarbamoyl)-2-(ethoxycarbonylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 2165590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).