ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate

C15H22N2O3S — CID 800855

IUPACethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C15H22N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H2,16,17,19)
InChIKeyXKVMOIACOPJFSQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.69
Rot. Bonds4

About ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate

ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate (PubChem CID 800855) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate
PubChem CID800855
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NC2CCCCC2)cc1C
InChIInChI=1S/C15H22N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H2,16,17,19)
InChIKeyXKVMOIACOPJFSQ-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate (CID 800855) is ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)NC2CCCCC2)cc1C.
What is the InChIKey of ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is XKVMOIACOPJFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-3-20-14(18)13-10(2)9-12(21-13)17-15(19)16-11-7-5-4-6-8-11/h9,11H,3-8H2,1-2H3,(H2,16,17,19).
What are the key properties of ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate?
ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 800855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).