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

C16H18N2O3S2 — CID 4589687

IUPACN-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(17-14-5-2-1-3-6-14)13-8-10-18(11-9-13)23(20,21)15-7-4-12-22-15/h1-7,12-13H,8-11H2,(H,17,19)
InChIKeyCXXNWHOQWURSAD-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.79
Rot. Bonds4

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

N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4589687) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID4589687
Molecular FormulaC16H18N2O3S2
Molecular Weight350.46 g/mol
Exact Mass350.08
IUPAC NameN-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O3S2/c19-16(17-14-5-2-1-3-6-14)13-8-10-18(11-9-13)23(20,21)15-7-4-12-22-15/h1-7,12-13H,8-11H2,(H,17,19)
InChIKeyCXXNWHOQWURSAD-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-sulfamoylphenyl)-2-(thiophen-2-yl)acetamide
CID 670143
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
(4-Phenylpiperazin-1-yl)(1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methanone
CID 1190372
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}thiophene-2-sulfonamide
CID 3237909
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-[[4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N~1~-(3-Methylphenyl)-2-[methyl(2-thienylsulfonyl)amino]acetamide
CID 4318852
N-[4-(Diethylamino)-2-methylphenyl]-3-methyl-2-(thiophene-2-sulfonamido)butanamide
CID 15988648

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 4589687) is N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CXXNWHOQWURSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(17-14-5-2-1-3-6-14)13-8-10-18(11-9-13)23(20,21)15-7-4-12-22-15/h1-7,12-13H,8-11H2,(H,17,19).
What are the key properties of N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4589687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).