2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C23H24Cl2N2O3S — CID 43896375

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H24Cl2N2O3S/c1-16(12-18-8-5-7-17-6-3-4-9-20(17)18)14-26-23(28)15-27(31(2,29)30)19-10-11-21(24)22(25)13-19/h3-11,13,16H,12,14-15H2,1-2H3,(H,26,28)
InChIKeyWCNJOIPHTJPFQQ-UHFFFAOYSA-N
MW479.43 g/mol
LogP4.91
Rot. Bonds8

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43896375) has the molecular formula C23H24Cl2N2O3S and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43896375
Molecular FormulaC23H24Cl2N2O3S
Molecular Weight479.43 g/mol
Exact Mass478.09
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)Cc1cccc2ccccc12
InChIInChI=1S/C23H24Cl2N2O3S/c1-16(12-18-8-5-7-17-6-3-4-9-20(17)18)14-26-23(28)15-27(31(2,29)30)19-10-11-21(24)22(25)13-19/h3-11,13,16H,12,14-15H2,1-2H3,(H,26,28)
InChIKeyWCNJOIPHTJPFQQ-UHFFFAOYSA-N
XLogP4.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896036
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895321
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43899207
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43897556
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895020
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892752
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895695
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892647
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 22193681
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 1321675
2-(3,4-dichloro-N-methylsulfonylanilino)-N-methylacetamide
CID 806054

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43896375) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is CC(CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)Cc1cccc2ccccc12.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is WCNJOIPHTJPFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3S/c1-16(12-18-8-5-7-17-6-3-4-9-20(17)18)14-26-23(28)15-27(31(2,29)30)19-10-11-21(24)22(25)13-19/h3-11,13,16H,12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 479.43 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43896375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).