methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

C19H26N2O5S — CID 2231943

IUPACmethyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H26N2O5S/c1-12-14(19(24)25-2)17(20-16(22)13-6-4-3-5-7-13)27-15(12)18(23)21-8-10-26-11-9-21/h13H,3-11H2,1-2H3,(H,20,22)
InChIKeyMOASKHWFIQUEPW-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.83
Rot. Bonds4

About methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (PubChem CID 2231943) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
PubChem CID2231943
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Namemethyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C19H26N2O5S/c1-12-14(19(24)25-2)17(20-16(22)13-6-4-3-5-7-13)27-15(12)18(23)21-8-10-26-11-9-21/h13H,3-11H2,1-2H3,(H,20,22)
InChIKeyMOASKHWFIQUEPW-UHFFFAOYSA-N
XLogP2.83
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
methyl 2-[(3,5-dinitrobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 17061139
methyl 4,5-dimethyl-2-(oxane-4-carbonylamino)thiophene-3-carboxylate
CID 31965251
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130857
methyl 4-methyl-2-(propanoylamino)-5-(pyrrolidine-1-carbonyl)thiophene-3-carboxylate
CID 17063743
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
CID 1131506
methyl 2-[(2-fluorobenzoyl)amino]-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
CID 1130849
methyl 5-(dimethylcarbamoyl)-4-methyl-2-(morpholine-4-carbothioylamino)thiophene-3-carboxylate
CID 19653726
methyl 4-methyl-5-(morpholine-4-carbonyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 3141698
methyl 2-[(4-methoxybenzoyl)amino]-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 1131159
methyl 2-(cyclohexanecarbonylamino)-5-[(2-methoxycarbonylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 17064247
ethyl 5-acetyl-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate
CID 706257

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (CID 2231943) is methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)N2CCOCC2)c1C.
What is the InChIKey of methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The InChIKey is MOASKHWFIQUEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-12-14(19(24)25-2)17(20-16(22)13-6-4-3-5-7-13)27-15(12)18(23)21-8-10-26-11-9-21/h13H,3-11H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate has a molecular weight of 394.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexanecarbonylamino)-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is sourced from PubChem (CID 2231943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).