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

C19H27NO4S — CID 143623847

IUPACmethyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N(C(=O)C1CCC(C)CC1)C1CCOC1
InChIInChI=1S/C19H27NO4S/c1-12-4-6-14(7-5-12)18(21)20(15-8-9-24-11-15)16-10-13(2)25-17(16)19(22)23-3/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyOJBGJOKXGGVTRN-UHFFFAOYSA-N
MW365.50 g/mol
LogP3.79
Rot. Bonds4

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

methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate (PubChem CID 143623847) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate
PubChem CID143623847
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Namemethyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C)cc1N(C(=O)C1CCC(C)CC1)C1CCOC1
InChIInChI=1S/C19H27NO4S/c1-12-4-6-14(7-5-12)18(21)20(15-8-9-24-11-15)16-10-13(2)25-17(16)19(22)23-3/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyOJBGJOKXGGVTRN-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 3-[1,3-dihydroxypropan-2-yl-(4-methylcyclohexanecarbonyl)amino]-5-methylthiophene-2-carboxylate
CID 143672558
methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(oxan-4-yloxy)cyclohexyl]amino]thiophene-2-carboxylate
CID 58114084
methyl 5-tert-butyl-3-[[4-[(3S,4R)-4-hydroxyoxolan-3-yl]oxycyclohexyl]-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
CID 70803322
methyl 3-[(4-methylcyclohexanecarbonyl)-(thian-4-yl)amino]-5-phenylthiophene-2-carboxylate
CID 59752302
methyl 3-[(4-methylcyclohexanecarbonyl)-(4-methylidenecyclohexyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752338
methyl 3-[(1-acetylpiperidin-4-yl)-(4-methylcyclohexanecarbonyl)amino]-5-phenylthiophene-2-carboxylate
CID 59752293
methyl 5-boranyl-3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophene-2-carboxylate
CID 145493279
methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(3-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylate
CID 71240639
methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[(3S)-pyrrolidin-3-yl]amino]thiophene-2-carboxylate
CID 58114110
methyl 3-[cyclohex-3-en-1-yl-(4-methylcyclohexanecarbonyl)amino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate
CID 86711779
5-methyl-3-[methylamino-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
CID 123441802
methyl 3-[(4-chloro-2-fluorobenzoyl)-(oxolan-3-yl)amino]-5-iodothiophene-2-carboxylate
CID 69164995

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate (CID 143623847) is methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate is COC(=O)c1sc(C)cc1N(C(=O)C1CCC(C)CC1)C1CCOC1.
What is the InChIKey of methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate?
The InChIKey is OJBGJOKXGGVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-12-4-6-14(7-5-12)18(21)20(15-8-9-24-11-15)16-10-13(2)25-17(16)19(22)23-3/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate?
methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate has a molecular weight of 365.50 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-3-[(4-methylcyclohexanecarbonyl)-(oxolan-3-yl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 143623847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).