N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H20N2O3S2 — CID 3240002

IUPACN-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)18-17(20)14-4-2-10-19(12-14)24(21,22)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeyAWRQIRAOBCNIDH-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.10
Rot. Bonds4

About N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 3240002) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID3240002
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)18-17(20)14-4-2-10-19(12-14)24(21,22)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeyAWRQIRAOBCNIDH-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
3-Cyclohexyl-N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}propanamide
CID 71661885
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
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-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]cyclohexyl]methyl]-2-thiophenesulfonamide
CID 3640175
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
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
N-(4-Bromo-3-methylphenyl)-1-[(5-bromothiophen-2-YL)sulfonyl]piperidine-3-carboxamide
CID 15989602

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 3240002) is N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is AWRQIRAOBCNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)18-17(20)14-4-2-10-19(12-14)24(21,22)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20).
What are the key properties of N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3240002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).