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

C25H30N2O3S — CID 43895321

IUPAC2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)cc1C
InChIInChI=1S/C25H30N2O3S/c1-18(14-22-10-7-9-21-8-5-6-11-24(21)22)16-26-25(28)17-27(31(4,29)30)23-13-12-19(2)20(3)15-23/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28)
InChIKeyXEWTUIROGMWPPV-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.22
Rot. Bonds8

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

2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43895321) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43895321
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)cc1C
InChIInChI=1S/C25H30N2O3S/c1-18(14-22-10-7-9-21-8-5-6-11-24(21)22)16-26-25(28)17-27(31(4,29)30)23-13-12-19(2)20(3)15-23/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28)
InChIKeyXEWTUIROGMWPPV-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.22
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-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43899207
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896375
2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43897556
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895695
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-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896945
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892647
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]acetamide
CID 53279455
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43895321) is 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is Cc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is XEWTUIROGMWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-18(14-22-10-7-9-21-8-5-6-11-24(21)22)16-26-25(28)17-27(31(4,29)30)23-13-12-19(2)20(3)15-23/h5-13,15,18H,14,16-17H2,1-4H3,(H,26,28).
What are the key properties of 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 438.59 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43895321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).