N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

C25H27BrN2O3S — CID 100795824

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H27BrN2O3S/c1-3-18-15-22(26)14-17(2)24(18)27-25(29)20-10-12-28(13-11-20)32(30,31)23-9-8-19-6-4-5-7-21(19)16-23/h4-9,14-16,20H,3,10-13H2,1-2H3,(H,27,29)
InChIKeyAVMGANHAWSNDHD-UHFFFAOYSA-N
MW515.47 g/mol
LogP5.51
Rot. Bonds5

About N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide

N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 100795824) has the molecular formula C25H27BrN2O3S and a molecular weight of 515.47 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID100795824
Molecular FormulaC25H27BrN2O3S
Molecular Weight515.47 g/mol
Exact Mass514.09
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C25H27BrN2O3S/c1-3-18-15-22(26)14-17(2)24(18)27-25(29)20-10-12-28(13-11-20)32(30,31)23-9-8-19-6-4-5-7-21(19)16-23/h4-9,14-16,20H,3,10-13H2,1-2H3,(H,27,29)
InChIKeyAVMGANHAWSNDHD-UHFFFAOYSA-N
XLogP5.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 5124057
N-(4-bromo-2,6-diethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100795683
N-(2-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26208569
N-(4-bromo-2,6-diethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100795631
N-(2-methyl-6-propan-2-ylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26218792
N-(2-bromo-4-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26774997
N-(3-ethylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26795871
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
(3S)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100801219
(3R)-N-(4-bromo-2-ethyl-6-methylphenyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100795949
N-(4-bromo-2-ethyl-6-methylphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 133155274
N-(2-chlorophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26574910

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide (CID 100795824) is N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is CCc1cc(Br)cc(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is AVMGANHAWSNDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O3S/c1-3-18-15-22(26)14-17(2)24(18)27-25(29)20-10-12-28(13-11-20)32(30,31)23-9-8-19-6-4-5-7-21(19)16-23/h4-9,14-16,20H,3,10-13H2,1-2H3,(H,27,29).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 515.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 100795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).