methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate

C13H18N2O3S — CID 896453

IUPACmethyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-18-12(16)11-10(7-8-19-11)15-13(17)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,14,15,17)
InChIKeyRQWRBEHMMJHPMT-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.99
Rot. Bonds3

About methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate

methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate (PubChem CID 896453) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate
PubChem CID896453
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18N2O3S/c1-18-12(16)11-10(7-8-19-11)15-13(17)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,14,15,17)
InChIKeyRQWRBEHMMJHPMT-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 4610946
Methyl 3-{[cyclohexyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate
CID 4610977
Methyl 3-{[(4-fluoroanilino)carbonyl]amino}-2-thiophenecarboxylate
CID 11837143
Methyl 3-{[(4-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818738
Methyl 3-[(4-methylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 4610944
Methyl 3-[(anilinocarbonothioyl)amino]thiophene-2-carboxylate
CID 6621269
Methyl 3-[(3-methylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 9550246
Methyl 3-[(piperidin-1-ylcarbonothioyl)amino]thiophene-2-carboxylate
CID 9551121
Methyl 3-{[(2-methylpiperidin-1-yl)carbonothioyl]amino}thiophene-2-carboxylate
CID 9551122
Methyl 3-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 16193786
Methyl 3-{[(4-methylpiperazin-1-yl)carbonothioyl]amino}thiophene-2-carboxylate
CID 16193936
Methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
CID 25116550

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate (CID 896453) is methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)NC1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate?
The InChIKey is RQWRBEHMMJHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-18-12(16)11-10(7-8-19-11)15-13(17)14-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H2,14,15,17).
What are the key properties of methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate?
methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylcarbamoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 896453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).