methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate

C14H20N2O3S — CID 17349253

IUPACmethyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H20N2O3S/c1-9-3-5-10(6-4-9)15-14(18)16-11-7-8-20-12(11)13(17)19-2/h7-10H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyMQMIIBOYDWAJFU-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.23
Rot. Bonds3

About methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 17349253) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID17349253
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)NC1CCC(C)CC1
InChIInChI=1S/C14H20N2O3S/c1-9-3-5-10(6-4-9)15-14(18)16-11-7-8-20-12(11)13(17)19-2/h7-10H,3-6H2,1-2H3,(H2,15,16,18)
InChIKeyMQMIIBOYDWAJFU-UHFFFAOYSA-N
XLogP3.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate (CID 17349253) is methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)NC1CCC(C)CC1.
What is the InChIKey of methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is MQMIIBOYDWAJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-3-5-10(6-4-9)15-14(18)16-11-7-8-20-12(11)13(17)19-2/h7-10H,3-6H2,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylcyclohexyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 17349253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).