methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C18H24N2O4S — CID 2986483

IUPACmethyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)NC2CCC(C)CC2)sc2c1CCC2
InChIInChI=1S/C18H24N2O4S/c1-10-6-8-11(9-7-10)19-15(21)16(22)20-17-14(18(23)24-2)12-4-3-5-13(12)25-17/h10-11H,3-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJHMTXKIGHAPIEB-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 2986483) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID2986483
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Namemethyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(=O)NC2CCC(C)CC2)sc2c1CCC2
InChIInChI=1S/C18H24N2O4S/c1-10-6-8-11(9-7-10)19-15(21)16(22)20-17-14(18(23)24-2)12-4-3-5-13(12)25-17/h10-11H,3-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJHMTXKIGHAPIEB-UHFFFAOYSA-N
XLogP2.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7388244
methyl 2-(cyclododecylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19652530
methyl 2-[[2-[2-(cyclohexylmethylidene)hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4136873
methyl 2-[[2-(2-cyclohexylidenehydrazinyl)-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4078124
methyl 2-[[(1S,2S)-2-methylcyclohexyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 8748269
methyl 2-(cyclopropylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3259126
methyl 2-[(3-methylpiperidine-1-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4514175
(1S,6S)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996436
(1R,6S)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996434
(1R,6R)-6-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 996435
methyl 2-[[(1S,2S,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 737655
methyl 2-[[2-methyl-2-(methylamino)propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 62846380

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 2986483) is methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(=O)NC2CCC(C)CC2)sc2c1CCC2.
What is the InChIKey of methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is JHMTXKIGHAPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-10-6-8-11(9-7-10)19-15(21)16(22)20-17-14(18(23)24-2)12-4-3-5-13(12)25-17/h10-11H,3-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(4-methylcyclohexyl)amino]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 2986483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).