N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide

C18H22N2O3S2 — CID 56876296

IUPACN-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCCC(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-19-25(22,23)16-8-6-14(7-9-16)12-20-10-2-4-15(13-20)18(21)17-5-3-11-24-17/h3,5-9,11,15,19H,2,4,10,12-13H2,1H3
InChIKeyQMPYOAQLCOITNJ-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.75
Rot. Bonds6

About N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide

N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide (PubChem CID 56876296) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
PubChem CID56876296
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCCC(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-19-25(22,23)16-8-6-14(7-9-16)12-20-10-2-4-15(13-20)18(21)17-5-3-11-24-17/h3,5-9,11,15,19H,2,4,10,12-13H2,1H3
InChIKeyQMPYOAQLCOITNJ-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 95215186
N-[[(3R)-1-[[4-(methylsulfamoyl)phenyl]methyl]piperidin-3-yl]methyl]acetamide
CID 95219246
(3S)-1-benzyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 100777396
[1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135099465
[(3S)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407966
[(3R)-1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 26407964
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylsulfamoyl)thiophene-2-carboxamide
CID 139008424
[1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 135119352
[(3S)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516670
[(3R)-1-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-thiophen-2-ylmethanone
CID 42516668
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide (CID 56876296) is N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CN2CCCC(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide?
The InChIKey is QMPYOAQLCOITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-19-25(22,23)16-8-6-14(7-9-16)12-20-10-2-4-15(13-20)18(21)17-5-3-11-24-17/h3,5-9,11,15,19H,2,4,10,12-13H2,1H3.
What are the key properties of N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide?
N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide has a molecular weight of 378.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-(thiophene-2-carbonyl)piperidin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 56876296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).