4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide

C17H21N3O3S2 — CID 20900833

IUPAC4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C17H21N3O3S2/c18-17(21)16-10-15(12-24-16)25(22,23)19-14-6-8-20(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14,19H,6-9,11H2,(H2,18,21)
InChIKeyUXAMWRRTKDNYKQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.79
Rot. Bonds6

About 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide

4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide (PubChem CID 20900833) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide
PubChem CID20900833
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C17H21N3O3S2/c18-17(21)16-10-15(12-24-16)25(22,23)19-14-6-8-20(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14,19H,6-9,11H2,(H2,18,21)
InChIKeyUXAMWRRTKDNYKQ-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide (CID 20900833) is 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cs1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide?
The InChIKey is UXAMWRRTKDNYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-17(21)16-10-15(12-24-16)25(22,23)19-14-6-8-20(9-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14,19H,6-9,11H2,(H2,18,21).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide?
4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20900833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).