ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride

C16H25ClN2O3S — CID 119677206

IUPACethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)C2CCC(N)C2)sc(C)c1CC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-4-12-9(3)22-15(13(12)16(20)21-5-2)18-14(19)10-6-7-11(17)8-10;/h10-11H,4-8,17H2,1-3H3,(H,18,19);1H
InChIKeyNQQPFOLTYQBODG-UHFFFAOYSA-N
MW360.91 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride

ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride (PubChem CID 119677206) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
PubChem CID119677206
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Nameethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)C2CCC(N)C2)sc(C)c1CC.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-4-12-9(3)22-15(13(12)16(20)21-5-2)18-14(19)10-6-7-11(17)8-10;/h10-11H,4-8,17H2,1-3H3,(H,18,19);1H
InChIKeyNQQPFOLTYQBODG-UHFFFAOYSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride
CID 120616863
ethyl 2-(cyclopropanecarbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 2373846
(2S,3R)-3-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 27521789
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
(1S,6R)-6-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1292937
ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3319911
ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230
ethyl 2-(2-chloropropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 43132157
ethyl 2-[(2,6-dichlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3442189
ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
CID 119677212
methyl 2-[[(1R,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 11895568

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride (CID 119677206) is ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(NC(=O)C2CCC(N)C2)sc(C)c1CC.Cl.
What is the InChIKey of ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride?
The InChIKey is NQQPFOLTYQBODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-4-12-9(3)22-15(13(12)16(20)21-5-2)18-14(19)10-6-7-11(17)8-10;/h10-11H,4-8,17H2,1-3H3,(H,18,19);1H.
What are the key properties of ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride?
ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 119677206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).