3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

C17H22N2O3S4 — CID 24566502

IUPAC3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSCc1cccs1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3S4/c20-17(18-7-12-23-13-14-5-4-10-24-14)16-15(6-11-25-16)26(21,22)19-8-2-1-3-9-19/h4-6,10-11H,1-3,7-9,12-13H2,(H,18,20)
InChIKeyKXKIDNWGUGTNSC-UHFFFAOYSA-N
MW430.64 g/mol
LogP3.65
Rot. Bonds8

About 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide

3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (PubChem CID 24566502) has the molecular formula C17H22N2O3S4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
PubChem CID24566502
Molecular FormulaC17H22N2O3S4
Molecular Weight430.64 g/mol
Exact Mass430.05
IUPAC Name3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCSCc1cccs1)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O3S4/c20-17(18-7-12-23-13-14-5-4-10-24-14)16-15(6-11-25-16)26(21,22)19-8-2-1-3-9-19/h4-6,10-11H,1-3,7-9,12-13H2,(H,18,20)
InChIKeyKXKIDNWGUGTNSC-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46819848
N-[2-(cyclohexanecarbonylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55805610
N-[2-(2-methylpropanoylamino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 32626260
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24633424
N-[3-(dimethylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 134037246
N-[2-(4-nitroanilino)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55514350
1-(2,4-dimethylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 46653457
N-(3-butoxypropyl)-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 51338664
N-[4-(4-ethylpiperazin-1-yl)butyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 78871188
N-(1-adamantylmethyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 38028874
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
N-[2-(methylamino)propyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 120829612

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide (CID 24566502) is 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is O=C(NCCSCc1cccs1)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
The InChIKey is KXKIDNWGUGTNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S4/c20-17(18-7-12-23-13-14-5-4-10-24-14)16-15(6-11-25-16)26(21,22)19-8-2-1-3-9-19/h4-6,10-11H,1-3,7-9,12-13H2,(H,18,20).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide?
3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24566502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).