methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate

C17H20N2O4S2 — CID 2814750

IUPACmethyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-17(20)16-15(9-12-24-16)25(21,22)18-13-5-7-14(8-6-13)19-10-3-2-4-11-19/h5-9,12,18H,2-4,10-11H2,1H3
InChIKeyNMIQDSOJIVJVGY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.33
Rot. Bonds5

About methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2814750) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2814750
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Namemethyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-17(20)16-15(9-12-24-16)25(21,22)18-13-5-7-14(8-6-13)19-10-3-2-4-11-19/h5-9,12,18H,2-4,10-11H2,1H3
InChIKeyNMIQDSOJIVJVGY-UHFFFAOYSA-N
XLogP3.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 2814750) is methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is NMIQDSOJIVJVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-17(20)16-15(9-12-24-16)25(21,22)18-13-5-7-14(8-6-13)19-10-3-2-4-11-19/h5-9,12,18H,2-4,10-11H2,1H3.
What are the key properties of methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-piperidin-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2814750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).