methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate

C14H19NO3S — CID 3811641

IUPACmethyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H19NO3S/c1-9-8-19-12(14(17)18-2)11(9)15-13(16)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyGEDLXFZILWNWNA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.36
Rot. Bonds3

About methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate

methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate (PubChem CID 3811641) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
PubChem CID3811641
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)C1CCCCC1
InChIInChI=1S/C14H19NO3S/c1-9-8-19-12(14(17)18-2)11(9)15-13(16)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyGEDLXFZILWNWNA-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-(piperidine-3-carbonylamino)thiophene-2-carboxylate
CID 114915597
methyl 3-[(2-aminocycloheptanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915584
methyl 4-methyl-3-(oxolane-2-carbonylamino)thiophene-2-carboxylate
CID 114916149
methyl 4-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 114915617
methyl 4-methyl-3-(thiomorpholine-3-carbonylamino)thiophene-2-carboxylate
CID 114915571
methyl 4-methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916198
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 4-methyl-3-[[2-[1-(2-oxopropyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 177002256
methyl 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylthiophene-2-carboxylate
CID 114916266
methyl 3-[(1-carbamothioylcyclopropanecarbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915721
4-methyl-3-(thiolane-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914741
methyl 4-methyl-3-[(2-methylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 114915561

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate (CID 3811641) is methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)C1CCCCC1.
What is the InChIKey of methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate?
The InChIKey is GEDLXFZILWNWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-9-8-19-12(14(17)18-2)11(9)15-13(16)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate?
methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexanecarbonylamino)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 3811641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).