N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide

C21H25NO4S — CID 54095520

IUPACN-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)C(=O)C(C)(C)C(N(C)S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C21H25NO4S/c1-14-6-10-17(11-7-14)27(24,25)22(4)19-12-15-8-9-16(26-5)13-18(15)20(23)21(19,2)3/h6-11,13,19H,12H2,1-5H3
InChIKeyMWVHERVYWUIZAL-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.46
Rot. Bonds4

About N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide

N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 54095520) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID54095520
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc2c(c1)C(=O)C(C)(C)C(N(C)S(=O)(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C21H25NO4S/c1-14-6-10-17(11-7-14)27(24,25)22(4)19-12-15-8-9-16(26-5)13-18(15)20(23)21(19,2)3/h6-11,13,19H,12H2,1-5H3
InChIKeyMWVHERVYWUIZAL-UHFFFAOYSA-N
XLogP3.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

5-methoxy-N,N,3,3-tetramethyl-1,2-dihydroinden-2-amine;hydrochloride
CID 70557198
[(6R)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl] 4-methylbenzenesulfonate
CID 54481886
3-ethyl-6-methoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 102288199
6-methoxy-3,3-dimethyl-1H-isothiochromen-4-one
CID 82888811
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
CID 142711780
8-methoxy-1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepin-4-ol
CID 10712674
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
7-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroquinolin-4-one
CID 44723602
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
CID 177478760

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide (CID 54095520) is N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide is COc1ccc2c(c1)C(=O)C(C)(C)C(N(C)S(=O)(=O)c1ccc(C)cc1)C2.
What is the InChIKey of N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is MWVHERVYWUIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-14-6-10-17(11-7-14)27(24,25)22(4)19-12-15-8-9-16(26-5)13-18(15)20(23)21(19,2)3/h6-11,13,19H,12H2,1-5H3.
What are the key properties of N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide?
N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 387.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-2-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 54095520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).