ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

C20H24N2O5S2 — CID 2813582

IUPACethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-2-27-20(24)16-10-12-22(13-11-16)29(25,26)18-9-8-17(28-18)14-21-19(23)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,23)
InChIKeyFPGALSNZIPFYLR-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.64
Rot. Bonds7

About ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate

ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate (PubChem CID 2813582) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
PubChem CID2813582
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Nameethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C20H24N2O5S2/c1-2-27-20(24)16-10-12-22(13-11-16)29(25,26)18-9-8-17(28-18)14-21-19(23)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,23)
InChIKeyFPGALSNZIPFYLR-UHFFFAOYSA-N
XLogP2.64
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-Butoxycarbonyl-3-[4-(N-benzylcarbamoyl)phenyl]-5-isobutylthiophene-2-sulfonamide
CID 25141239
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
CID 2823611
N-benzyl-4-(diethylsulfamoyl)thiophene-2-carboxamide
CID 647357
N,N-dimethyl-4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 2161272
[2-(Benzylamino)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate
CID 2355400
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435701
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
2-(1,3-Dioxoisoindol-2-yl)ethyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2529852
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2675231
4-(dimethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 2675259

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate (CID 2813582) is ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1.
What is the InChIKey of ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
The InChIKey is FPGALSNZIPFYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-2-27-20(24)16-10-12-22(13-11-16)29(25,26)18-9-8-17(28-18)14-21-19(23)15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(benzamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 2813582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).