N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H20N2O3S2 — CID 2329041

IUPACN-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-18(15-6-3-2-4-7-15)17(20)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h2-8,13-14H,9-12H2,1H3
InChIKeyPJXRRCJFXYLAPO-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.81
Rot. Bonds4

About N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 2329041) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID2329041
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C17H20N2O3S2/c1-18(15-6-3-2-4-7-15)17(20)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h2-8,13-14H,9-12H2,1H3
InChIKeyPJXRRCJFXYLAPO-UHFFFAOYSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 2329041) is N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is PJXRRCJFXYLAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-18(15-6-3-2-4-7-15)17(20)14-9-11-19(12-10-14)24(21,22)16-8-5-13-23-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2329041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).