N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

C26H30N2O3S — CID 55710323

IUPACN-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H30N2O3S/c1-27(17-7-10-21-8-3-2-4-9-21)26(29)23-15-18-28(19-16-23)32(30,31)25-14-13-22-11-5-6-12-24(22)20-25/h2-6,8-9,11-14,20,23H,7,10,15-19H2,1H3
InChIKeyVGJFPWBAHYGUMH-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.33
Rot. Bonds7

About N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide

N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 55710323) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID55710323
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H30N2O3S/c1-27(17-7-10-21-8-3-2-4-9-21)26(29)23-15-18-28(19-16-23)32(30,31)25-14-13-22-11-5-6-12-24(22)20-25/h2-6,8-9,11-14,20,23H,7,10,15-19H2,1H3
InChIKeyVGJFPWBAHYGUMH-UHFFFAOYSA-N
XLogP4.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
N-methyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 43588756
1-(1,3-benzodioxol-5-ylsulfonyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 113005716
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-(4-chlorophenyl)sulfonyl-N-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 2470101
N-[2-(benzylamino)-2-oxoethyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 39821890
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 55710323) is N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide is CN(CCCc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is VGJFPWBAHYGUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-27(17-7-10-21-8-3-2-4-9-21)26(29)23-15-18-28(19-16-23)32(30,31)25-14-13-22-11-5-6-12-24(22)20-25/h2-6,8-9,11-14,20,23H,7,10,15-19H2,1H3.
What are the key properties of N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide?
N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-ylsulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55710323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).