ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

C20H24N2O5S2 — CID 26901059

IUPACethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C20H24N2O5S2/c1-3-27-20(24)18-14(2)13-17(28-18)21-19(23)15-9-11-22(12-10-15)29(25,26)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,21,23)
InChIKeyAARLTGDVMFRUPP-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.27
Rot. Bonds6

About ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 26901059) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID26901059
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Nameethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C20H24N2O5S2/c1-3-27-20(24)18-14(2)13-17(28-18)21-19(23)15-9-11-22(12-10-15)29(25,26)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,21,23)
InChIKeyAARLTGDVMFRUPP-UHFFFAOYSA-N
XLogP3.27
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-methyl-5-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 16934324
ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 16862892
ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 60921466
ethyl 4-methyl-2-[[1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 16934537
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
diethyl 5-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 16861579
ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 42905570
ethyl 2-[4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]phenyl]acetate
CID 100798707
1-(benzenesulfonyl)-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 56501029
ethyl 3-methyl-5-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 42905569
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (CID 26901059) is ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C.
What is the InChIKey of ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is AARLTGDVMFRUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-3-27-20(24)18-14(2)13-17(28-18)21-19(23)15-9-11-22(12-10-15)29(25,26)16-7-5-4-6-8-16/h4-8,13,15H,3,9-12H2,1-2H3,(H,21,23).
What are the key properties of ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 436.56 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 26901059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).