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Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate

C17H20N2O5S3 — CID 41100010

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O5S3/c1-2-24-17(21)13-7-11-26-16(13)18-15(20)12-5-8-19(9-6-12)27(22,23)14-4-3-10-25-14/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,18,20)
InChIKeyYNDZNGDHKKYUNG-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.03
Rot. Bonds6

About Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate

Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 41100010) has the molecular formula C17H20N2O5S3 and a molecular weight of 428.56 g/mol. Its IUPAC name is ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound NameEthyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID41100010
Molecular FormulaC17H20N2O5S3
Molecular Weight428.56 g/mol
Exact Mass428.05
IUPAC Nameethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H20N2O5S3/c1-2-24-17(21)13-7-11-26-16(13)18-15(20)12-5-8-19(9-6-12)27(22,23)14-4-3-10-25-14/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,18,20)
InChIKeyYNDZNGDHKKYUNG-UHFFFAOYSA-N
XLogP3.03
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate (CID 41100010) is ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is YNDZNGDHKKYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S3/c1-2-24-17(21)13-7-11-26-16(13)18-15(20)12-5-8-19(9-6-12)27(22,23)14-4-3-10-25-14/h3-4,7,10-12H,2,5-6,8-9H2,1H3,(H,18,20).
What are the key properties of Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate?
Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 428.56 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 41100010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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