N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C26H30N2O3S — CID 26218792

IUPACN-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H30N2O3S/c1-18(2)24-10-6-7-19(3)25(24)27-26(29)21-13-15-28(16-14-21)32(30,31)23-12-11-20-8-4-5-9-22(20)17-23/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,29)
InChIKeyAVORGACKQBTHGW-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.31
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 26218792) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID26218792
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H30N2O3S/c1-18(2)24-10-6-7-19(3)25(24)27-26(29)21-13-15-28(16-14-21)32(30,31)23-12-11-20-8-4-5-9-22(20)17-23/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,29)
InChIKeyAVORGACKQBTHGW-UHFFFAOYSA-N
XLogP5.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976126
1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976117
(3R)-N-(2,6-dimethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-3-carboxamide
CID 40976116
N-(2,6-dimethylphenyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26894384
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 100795824
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 26218792) is N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AVORGACKQBTHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18(2)24-10-6-7-19(3)25(24)27-26(29)21-13-15-28(16-14-21)32(30,31)23-12-11-20-8-4-5-9-22(20)17-23/h4-12,17-18,21H,13-16H2,1-3H3,(H,27,29).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26218792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).