methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

C16H23NO3S — CID 123712998

IUPACmethyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
SMILESCCc1cc(NC(=O)C2CCC(C)CC2)c(C(=O)OC)s1
InChIInChI=1S/C16H23NO3S/c1-4-12-9-13(14(21-12)16(19)20-3)17-15(18)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyKWBPLOMVSOQLGX-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.86
Rot. Bonds4

About methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate

methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate (PubChem CID 123712998) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
PubChem CID123712998
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Namemethyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
SMILESCCc1cc(NC(=O)C2CCC(C)CC2)c(C(=O)OC)s1
InChIInChI=1S/C16H23NO3S/c1-4-12-9-13(14(21-12)16(19)20-3)17-15(18)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyKWBPLOMVSOQLGX-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552
methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
CID 95275818
methyl 4-(cyclopropanecarbonylamino)-2-fluoro-5-hydroxybenzoate
CID 167021138
butane;ethane;N-methoxy-4-methylcyclohexane-1-carboxamide
CID 145332702
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 5-(cyclopropanecarbonylamino)thiophene-2-carboxylate
CID 24671197
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
methyl 3-[1,3-dihydroxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-methylthiophene-2-carboxylate
CID 143672558

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate (CID 123712998) is methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate is CCc1cc(NC(=O)C2CCC(C)CC2)c(C(=O)OC)s1.
What is the InChIKey of methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
The InChIKey is KWBPLOMVSOQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-12-9-13(14(21-12)16(19)20-3)17-15(18)11-7-5-10(2)6-8-11/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate?
methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate has a molecular weight of 309.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-3-[(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 123712998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).