ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride

C17H27ClN2O3S — CID 120616863

IUPACethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)[C@H]2CCN[C@@H](C)C2)sc(C)c1CC.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-5-13-11(4)23-16(14(13)17(21)22-6-2)19-15(20)12-7-8-18-10(3)9-12;/h10,12,18H,5-9H2,1-4H3,(H,19,20);1H/t10-,12-;/m0./s1
InChIKeyFDNKTGCDMBMDQN-JGAZGGJJSA-N
MW374.93 g/mol
LogP3.54
Rot. Bonds5

About ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride

ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride (PubChem CID 120616863) has the molecular formula C17H27ClN2O3S and a molecular weight of 374.93 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride
PubChem CID120616863
Molecular FormulaC17H27ClN2O3S
Molecular Weight374.93 g/mol
Exact Mass374.14
IUPAC Nameethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(NC(=O)[C@H]2CCN[C@@H](C)C2)sc(C)c1CC.Cl
InChIInChI=1S/C17H26N2O3S.ClH/c1-5-13-11(4)23-16(14(13)17(21)22-6-2)19-15(20)12-7-8-18-10(3)9-12;/h10,12,18H,5-9H2,1-4H3,(H,19,20);1H/t10-,12-;/m0./s1
InChIKeyFDNKTGCDMBMDQN-JGAZGGJJSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.93
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 2-[(3-aminocyclopentanecarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677206
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
(1S,6R)-6-[(3-ethoxycarbonyl-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1292937
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
ethyl 2-[[2-[2-(cyclohexanecarbonylamino)acetyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 3319911
ethyl 4-ethyl-5-methyl-2-[(2-morpholin-2-ylacetyl)amino]thiophene-3-carboxylate;hydrochloride
CID 119677224
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
3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106740296
ethyl 2-[[2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 41253520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride (CID 120616863) is ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride is CCOC(=O)c1c(NC(=O)[C@H]2CCN[C@@H](C)C2)sc(C)c1CC.Cl.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride?
The InChIKey is FDNKTGCDMBMDQN-JGAZGGJJSA-N. The full InChI is InChI=1S/C17H26N2O3S.ClH/c1-5-13-11(4)23-16(14(13)17(21)22-6-2)19-15(20)12-7-8-18-10(3)9-12;/h10,12,18H,5-9H2,1-4H3,(H,19,20);1H/t10-,12-;/m0./s1.
What are the key properties of ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride?
ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride has a molecular weight of 374.93 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate;hydrochloride is sourced from PubChem (CID 120616863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).