N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C24H33N3O3S2 — CID 36527366

IUPACN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1
InChIInChI=1S/C24H33N3O3S2/c1-19-8-12-26(13-9-19)18-21-6-4-20(5-7-21)17-25-24(28)22-10-14-27(15-11-22)32(29,30)23-3-2-16-31-23/h2-7,16,19,22H,8-15,17-18H2,1H3,(H,25,28)
InChIKeyJFSDGAXTSXGBLI-UHFFFAOYSA-N
MW475.68 g/mol
LogP3.70
Rot. Bonds7

About N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 36527366) has the molecular formula C24H33N3O3S2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID36527366
Molecular FormulaC24H33N3O3S2
Molecular Weight475.68 g/mol
Exact Mass475.20
IUPAC NameN-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1
InChIInChI=1S/C24H33N3O3S2/c1-19-8-12-26(13-9-19)18-21-6-4-20(5-7-21)17-25-24(28)22-10-14-27(15-11-22)32(29,30)23-3-2-16-31-23/h2-7,16,19,22H,8-15,17-18H2,1H3,(H,25,28)
InChIKeyJFSDGAXTSXGBLI-UHFFFAOYSA-N
XLogP3.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.68
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55575715
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 27333455
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 28564477
N-[2-(4-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2078307
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 46385752
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17429474
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 94617755
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 49082877

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 36527366) is N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is CC1CCN(Cc2ccc(CNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JFSDGAXTSXGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S2/c1-19-8-12-26(13-9-19)18-21-6-4-20(5-7-21)17-25-24(28)22-10-14-27(15-11-22)32(29,30)23-3-2-16-31-23/h2-7,16,19,22H,8-15,17-18H2,1H3,(H,25,28).
What are the key properties of N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 475.68 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 36527366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).