methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate

C19H24N2O4S2 — CID 71787121

IUPACmethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-25-19(22)16-4-6-17(7-5-16)27(23,24)20-10-13-21-11-8-15(9-12-21)18-3-2-14-26-18/h2-7,14-15,20H,8-13H2,1H3
InChIKeyIFTVGZGUPMJAFV-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.69
Rot. Bonds7

About methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate

methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate (PubChem CID 71787121) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate
PubChem CID71787121
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Namemethyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C19H24N2O4S2/c1-25-19(22)16-4-6-17(7-5-16)27(23,24)20-10-13-21-11-8-15(9-12-21)18-3-2-14-26-18/h2-7,14-15,20H,8-13H2,1H3
InChIKeyIFTVGZGUPMJAFV-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 4-[4-(piperidinosulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylate
CID 2811106
Methyl 4-{4-[(3-methylpiperidino)sulfonyl]phenyl}-5-(trifluoromethyl)-2-thiophenecarboxylate
CID 2813180
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-morpholin-4-ylsulfonylbenzoate
CID 2365503
methyl 4-(N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)sulfamoyl)benzoate
CID 71796692
methyl 4-(N-(2-hydroxy-2-(thiophen-2-yl)propyl)sulfamoyl)benzoate
CID 71796921
Methyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoate
CID 2106852
Methyl 4-(4-methylphenyl)-3-(piperidin-1-ylsulfonyl)thiophene-2-carboxylate
CID 16804921
Methyl 3-((4-carbamoylpiperidin-1-yl)sulfonyl)-4-(p-tolyl)thiophene-2-carboxylate
CID 16804922
Ethyl 3-((4-methylpiperidin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate
CID 16956753
methyl 4-(N-(2-(4-(thiophene-3-carbonyl)piperazin-1-yl)ethyl)sulfamoyl)benzoate
CID 49669685
Methyl 4-((4-(thiophen-3-yl)piperidin-1-yl)sulfonyl)benzoate
CID 71787161
methyl 4-(N-(2-morpholino-2-(thiophen-3-yl)ethyl)sulfamoyl)benzoate
CID 71796502

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate (CID 71787121) is methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NCCN2CCC(c3cccs3)CC2)cc1.
What is the InChIKey of methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate?
The InChIKey is IFTVGZGUPMJAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-25-19(22)16-4-6-17(7-5-16)27(23,24)20-10-13-21-11-8-15(9-12-21)18-3-2-14-26-18/h2-7,14-15,20H,8-13H2,1H3.
What are the key properties of methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate?
methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate has a molecular weight of 408.55 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-thiophen-2-ylpiperidin-1-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 71787121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).