2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide

C28H28N2O5S — CID 1357139

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C28H28N2O5S/c1-19-13-20(2)15-24(14-19)30(36(32,33)25-11-12-26(34-3)27(17-25)35-4)18-28(31)29-23-10-9-21-7-5-6-8-22(21)16-23/h5-17H,18H2,1-4H3,(H,29,31)
InChIKeyCPNHBOPGUBZGEI-UHFFFAOYSA-N
MW504.61 g/mol
LogP5.31
Rot. Bonds8

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide (PubChem CID 1357139) has the molecular formula C28H28N2O5S and a molecular weight of 504.61 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
PubChem CID1357139
Molecular FormulaC28H28N2O5S
Molecular Weight504.61 g/mol
Exact Mass504.17
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C28H28N2O5S/c1-19-13-20(2)15-24(14-19)30(36(32,33)25-11-12-26(34-3)27(17-25)35-4)18-28(31)29-23-10-9-21-7-5-6-8-22(21)16-23/h5-17H,18H2,1-4H3,(H,29,31)
InChIKeyCPNHBOPGUBZGEI-UHFFFAOYSA-N
XLogP5.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide
CID 2466260
ethyl 4-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetyl]amino]benzoate
CID 1353694
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 43916058
ethyl 2-chloro-5-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetyl]amino]benzoate
CID 99951269
N-(3,5-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzenesulfonamide
CID 39366683
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
N-(4-bromo-3-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126179582
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 43896718

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide (CID 1357139) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide?
The InChIKey is CPNHBOPGUBZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5S/c1-19-13-20(2)15-24(14-19)30(36(32,33)25-11-12-26(34-3)27(17-25)35-4)18-28(31)29-23-10-9-21-7-5-6-8-22(21)16-23/h5-17H,18H2,1-4H3,(H,29,31).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide has a molecular weight of 504.61 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 1357139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).