methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate

C15H21NO3S — CID 115617093

IUPACmethyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCc1ccsc1C(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H21NO3S/c1-3-10-8-9-20-13(10)14(17)16-12-6-4-11(5-7-12)15(18)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyWVBGORFVSASAAD-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 115617093) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID115617093
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Namemethyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCc1ccsc1C(=O)NC1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H21NO3S/c1-3-10-8-9-20-13(10)14(17)16-12-6-4-11(5-7-12)15(18)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17)
InChIKeyWVBGORFVSASAAD-UHFFFAOYSA-N
XLogP2.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate (CID 115617093) is methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate is CCc1ccsc1C(=O)NC1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is WVBGORFVSASAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-10-8-9-20-13(10)14(17)16-12-6-4-11(5-7-12)15(18)19-2/h8-9,11-12H,3-7H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 115617093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).