diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate

C18H26N2O5S — CID 28693670

IUPACdiethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H26N2O5S/c1-4-24-16(21)13-11(3)14(17(22)25-5-2)26-15(13)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23)
InChIKeyKEVOAUACZKUJPN-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.86
Rot. Bonds6

About diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate

diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate (PubChem CID 28693670) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
PubChem CID28693670
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Namediethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)c(C(=O)OCC)c1C
InChIInChI=1S/C18H26N2O5S/c1-4-24-16(21)13-11(3)14(17(22)25-5-2)26-15(13)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23)
InChIKeyKEVOAUACZKUJPN-UHFFFAOYSA-N
XLogP3.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(cyclohexylcarbamoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4681804
ethyl 5-(cyclohexylcarbamoyl)-2-[(2,4-dichlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4030518
ethyl 5-acetyl-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate
CID 706257
diethyl 5-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16576373
ethyl 5-(cyclopentylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4128602
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 874492
diethyl 5-(carbamothioylamino)-3-methylthiophene-2,4-dicarboxylate
CID 2771018
ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
2-O-cyclohexyl 4-O-ethyl 5-[(4-methoxy-4-oxobutanoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 28694353
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
[2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-cyclooctylazanium
CID 9265081

Frequently Asked Questions

What is the IUPAC name of diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate (CID 28693670) is diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate is CCOC(=O)c1sc(NC(=O)NC2CCCCC2)c(C(=O)OCC)c1C.
What is the InChIKey of diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is KEVOAUACZKUJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-4-24-16(21)13-11(3)14(17(22)25-5-2)26-15(13)20-18(23)19-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,19,20,23).
What are the key properties of diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate?
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 382.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 28693670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).