2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C28H26Cl2N2O3S — CID 43892752

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H26Cl2N2O3S/c1-20(14-22-10-7-9-21-8-5-6-13-27(21)22)18-31-28(33)19-32(25-16-23(29)15-24(30)17-25)36(34,35)26-11-3-2-4-12-26/h2-13,15-17,20H,14,18-19H2,1H3,(H,31,33)
InChIKeyITSQUOADBUQXPN-UHFFFAOYSA-N
MW541.50 g/mol
LogP6.34
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43892752) has the molecular formula C28H26Cl2N2O3S and a molecular weight of 541.50 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43892752
Molecular FormulaC28H26Cl2N2O3S
Molecular Weight541.50 g/mol
Exact Mass540.10
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H26Cl2N2O3S/c1-20(14-22-10-7-9-21-8-5-6-13-27(21)22)18-31-28(33)19-32(25-16-23(29)15-24(30)17-25)36(34,35)26-11-3-2-4-12-26/h2-13,15-17,20H,14,18-19H2,1H3,(H,31,33)
InChIKeyITSQUOADBUQXPN-UHFFFAOYSA-N
XLogP6.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.50
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895793
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892647
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895020
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892591
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896375
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43897556
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896036
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 92679875
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895321
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43898348
2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896945
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43892752) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is CC(CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is ITSQUOADBUQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O3S/c1-20(14-22-10-7-9-21-8-5-6-13-27(21)22)18-31-28(33)19-32(25-16-23(29)15-24(30)17-25)36(34,35)26-11-3-2-4-12-26/h2-13,15-17,20H,14,18-19H2,1H3,(H,31,33).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 541.50 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43892752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).