N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 6503253

IUPACN-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-12-14-7-3-1-4-8-14)16-11-15(13-23-16)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,18,20)
InChIKeyOYUPZVUVQJSYDC-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.85
Rot. Bonds5

About N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503253) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503253
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-12-14-7-3-1-4-8-14)16-11-15(13-23-16)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,18,20)
InChIKeyOYUPZVUVQJSYDC-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503253) is N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is OYUPZVUVQJSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-17(18-12-14-7-3-1-4-8-14)16-11-15(13-23-16)24(21,22)19-9-5-2-6-10-19/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2,(H,18,20).
What are the key properties of N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).