N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C25H35N3O3S2 — CID 46478046

IUPACN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3CN3CCCCC3C)C2)s1
InChIInChI=1S/C25H35N3O3S2/c1-19-8-5-6-14-27(19)17-22-10-4-3-9-21(22)16-26-25(29)23-11-7-15-28(18-23)33(30,31)24-13-12-20(2)32-24/h3-4,9-10,12-13,19,23H,5-8,11,14-18H2,1-2H3,(H,26,29)
InChIKeyQALBILLZHBFDHR-UHFFFAOYSA-N
MW489.71 g/mol
LogP4.15
Rot. Bonds7

About N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 46478046) has the molecular formula C25H35N3O3S2 and a molecular weight of 489.71 g/mol. Its IUPAC name is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID46478046
Molecular FormulaC25H35N3O3S2
Molecular Weight489.71 g/mol
Exact Mass489.21
IUPAC NameN-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3CN3CCCCC3C)C2)s1
InChIInChI=1S/C25H35N3O3S2/c1-19-8-5-6-14-27(19)17-22-10-4-3-9-21(22)16-26-25(29)23-11-7-15-28(18-23)33(30,31)24-13-12-20(2)32-24/h3-4,9-10,12-13,19,23H,5-8,11,14-18H2,1-2H3,(H,26,29)
InChIKeyQALBILLZHBFDHR-UHFFFAOYSA-N
XLogP4.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.71
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60599694
2,2-dimethyl-3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid
CID 119250310
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
(3R)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 38554962
1-(5-methylthiophen-2-yl)sulfonyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 55526975
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119996944
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839
1-(5-methylthiophen-2-yl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 46521915
(3S)-N-[[2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]-1-methylpiperidine-3-carboxamide
CID 129445770
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 46478046) is N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccc3CN3CCCCC3C)C2)s1.
What is the InChIKey of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is QALBILLZHBFDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3S2/c1-19-8-5-6-14-27(19)17-22-10-4-3-9-21(22)16-26-25(29)23-11-7-15-28(18-23)33(30,31)24-13-12-20(2)32-24/h3-4,9-10,12-13,19,23H,5-8,11,14-18H2,1-2H3,(H,26,29).
What are the key properties of N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 489.71 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46478046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).