N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide

C29H29NO4S — CID 46932096

IUPACN-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(C(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C29H29NO4S/c1-29(2,3)26-18-23(27(31)19-9-7-6-8-10-19)17-25(28(26)34-4)22-12-11-21-16-24(30-35(5,32)33)14-13-20(21)15-22/h6-18,30H,1-5H3
InChIKeyQSKABYUZGCZCFD-UHFFFAOYSA-N
MW487.62 g/mol
LogP6.42
Rot. Bonds6

About N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide

N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide (PubChem CID 46932096) has the molecular formula C29H29NO4S and a molecular weight of 487.62 g/mol. Its IUPAC name is N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide
PubChem CID46932096
Molecular FormulaC29H29NO4S
Molecular Weight487.62 g/mol
Exact Mass487.18
IUPAC NameN-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(C(=O)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C29H29NO4S/c1-29(2,3)26-18-23(27(31)19-9-7-6-8-10-19)17-25(28(26)34-4)22-12-11-21-16-24(30-35(5,32)33)14-13-20(21)15-22/h6-18,30H,1-5H3
InChIKeyQSKABYUZGCZCFD-UHFFFAOYSA-N
XLogP6.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.62
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-tert-butyl-5-[6-(methanesulfonamido)naphthalen-2-yl]-4-methoxyphenyl]-3-phenylurea
CID 46931799
1-[3-tert-butyl-5-[6-(methanesulfonamido)naphthalen-2-yl]-4-methoxyphenyl]-3-propan-2-ylurea
CID 46931909
N-[6-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]naphthalen-2-yl]methanesulfonamide
CID 46932283
N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide
CID 46932009
2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-[6-(methanesulfonamido)naphthalen-2-yl]-2-methoxyphenyl]-2-methylpropanoic acid
CID 74411338
3-(6-aminonaphthalen-2-yl)-N,5-ditert-butyl-4-methoxybenzamide
CID 141301919
N-[6-[5-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3-phenylphenyl]naphthalen-2-yl]methanesulfonamide
CID 25234131
N-[6-[5-tert-butyl-2-fluoro-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-6-methoxyphenyl]naphthalen-2-yl]methanesulfonamide
CID 118609351
[3-tert-butyl-4-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl] N-tert-butylcarbamate
CID 57471684
3,5-ditert-butyl-4-methoxy-N-phenylbenzamide
CID 86191390
potassium;N-[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl]methanesulfonamide;[6-[3-tert-butyl-5-(2,4-dioxopyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl] methanesulfonate;methanesulfonamide;oxido-oxidooxy-oxophosphanium;potassiopotassium
CID 159122144
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide (CID 46932096) is N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide is COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(C(=O)c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide?
The InChIKey is QSKABYUZGCZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4S/c1-29(2,3)26-18-23(27(31)19-9-7-6-8-10-19)17-25(28(26)34-4)22-12-11-21-16-24(30-35(5,32)33)14-13-20(21)15-22/h6-18,30H,1-5H3.
What are the key properties of N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide?
N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide has a molecular weight of 487.62 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-benzoyl-3-tert-butyl-2-methoxyphenyl)naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 46932096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).