ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

C19H24N2O5S3 — CID 36667630

IUPACethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H24N2O5S3/c1-3-14-11-15(19(23)26-4-2)18(28-14)20-17(22)13-7-5-9-21(12-13)29(24,25)16-8-6-10-27-16/h6,8,10-11,13H,3-5,7,9,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyDFSYERHGWPTLPJ-CYBMUJFWSA-N
MW456.61 g/mol
LogP3.59
Rot. Bonds7

About ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 36667630) has the molecular formula C19H24N2O5S3 and a molecular weight of 456.61 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID36667630
Molecular FormulaC19H24N2O5S3
Molecular Weight456.61 g/mol
Exact Mass456.08
IUPAC Nameethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C19H24N2O5S3/c1-3-14-11-15(19(23)26-4-2)18(28-14)20-17(22)13-7-5-9-21(12-13)29(24,25)16-8-6-10-27-16/h6,8,10-11,13H,3-5,7,9,12H2,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyDFSYERHGWPTLPJ-CYBMUJFWSA-N
XLogP3.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
tert-butyl 3-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)carbamoyl]piperidine-1-carboxylate
CID 84560312
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(4-ethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826190
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3R)-N-propyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802331
ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862934
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate (CID 36667630) is ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is DFSYERHGWPTLPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O5S3/c1-3-14-11-15(19(23)26-4-2)18(28-14)20-17(22)13-7-5-9-21(12-13)29(24,25)16-8-6-10-27-16/h6,8,10-11,13H,3-5,7,9,12H2,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 456.61 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 36667630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).