N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide

C23H29NO3S — CID 14327181

IUPACN-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H29NO3S/c1-6-24-28(26,27)18-10-7-16(8-11-18)21(25)17-9-12-19-20(15-17)23(4,5)14-13-22(19,2)3/h7-12,15,24H,6,13-14H2,1-5H3
InChIKeyWSIUUCXOBJLOJE-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.56
Rot. Bonds5

About N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide

N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide (PubChem CID 14327181) has the molecular formula C23H29NO3S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide
PubChem CID14327181
Molecular FormulaC23H29NO3S
Molecular Weight399.56 g/mol
Exact Mass399.19
IUPAC NameN-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C23H29NO3S/c1-6-24-28(26,27)18-10-7-16(8-11-18)21(25)17-9-12-19-20(15-17)23(4,5)14-13-22(19,2)3/h7-12,15,24H,6,13-14H2,1-5H3
InChIKeyWSIUUCXOBJLOJE-UHFFFAOYSA-N
XLogP4.56
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[3-oxo-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzenesulfonamide
CID 67935172
(3-ethylsulfonylnaphthalen-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 139711829
methyl (E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)phenyl]prop-2-enoate
CID 121474344
methyl 4-(8-methoxy-5,5,8-trimethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
CID 54559623
6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 6435463
(1S)-N-ethyl-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanesulfonamide
CID 97177607
(E)-3-(4-methylsulfonylphenyl)-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-en-1-one
CID 14327182
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
methyl 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]benzoate
CID 14726493
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-N-ethylbenzenesulfonamide
CID 79406673
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249
4-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid;zinc
CID 67884276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide (CID 14327181) is N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide?
The InChIKey is WSIUUCXOBJLOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3S/c1-6-24-28(26,27)18-10-7-16(8-11-18)21(25)17-9-12-19-20(15-17)23(4,5)14-13-22(19,2)3/h7-12,15,24H,6,13-14H2,1-5H3.
What are the key properties of N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide?
N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide has a molecular weight of 399.56 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 14327181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).