4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 6486038

IUPAC4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C17H20N2O3S2/c18-17(20)16-11-15(12-23-16)24(21,22)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,18,20)
InChIKeyMELAXEVXXKAZKA-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.49
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6486038) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6486038
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C17H20N2O3S2/c18-17(20)16-11-15(12-23-16)24(21,22)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,18,20)
InChIKeyMELAXEVXXKAZKA-UHFFFAOYSA-N
XLogP2.49
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 6486038) is 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cs1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is MELAXEVXXKAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c18-17(20)16-11-15(12-23-16)24(21,22)19-8-6-14(7-9-19)10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H2,18,20).
What are the key properties of 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6486038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).