N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

C17H20N2O3S2 — CID 2989171

IUPACN-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c1-18(24(21,22)16-6-5-13-23-16)15-9-7-14(8-10-15)17(20)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3
InChIKeyCTJCYAFGRUWVRJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.20
Rot. Bonds4

About N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2989171) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID2989171
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O3S2/c1-18(24(21,22)16-6-5-13-23-16)15-9-7-14(8-10-15)17(20)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3
InChIKeyCTJCYAFGRUWVRJ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
1-(3,4-Dimethylphenyl)-4-(2-thienylcarbonyl)piperazine
CID 893048
[4-(2,4-Dimethyl-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 969684
1-{4-[4-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl}ethan-1-one
CID 1245607
1-{4-[4-(2-Thienylacetyl)-1-piperazinyl]phenyl}ethanone
CID 1246653
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N1,N1,5-trimethyl-3-(methylthio)-4,4-dioxo-4,5-dihydro-4lambda~6~-benzo[c]thieno[3,4-e][1,2]thiazine-1-carboxamide
CID 2820470
1-[3-Fluoro-4-[3-methyl-4-(2-thienylcarbonyl)-1-piperazinyl]phenyl]ethanone
CID 2939373
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
4-[ethyl(phenyl)sulfamoyl]-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 4963703

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (CID 2989171) is N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is CN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is CTJCYAFGRUWVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-18(24(21,22)16-6-5-13-23-16)15-9-7-14(8-10-15)17(20)19-11-3-2-4-12-19/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2989171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).