2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide

C18H20Cl2N2O3S — CID 133189363

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(14-6-4-3-5-7-14)11-21-18(23)12-22(26(2,24)25)17-9-8-15(19)10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyGAGMHDZLZLBLDI-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.68
Rot. Bonds7

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 133189363) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID133189363
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-13(14-6-4-3-5-7-14)11-21-18(23)12-22(26(2,24)25)17-9-8-15(19)10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyGAGMHDZLZLBLDI-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
N-benzyl-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 3465681
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185213
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30168964
N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 133189363) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN(c1ccc(Cl)cc1Cl)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is GAGMHDZLZLBLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-13(14-6-4-3-5-7-14)11-21-18(23)12-22(26(2,24)25)17-9-8-15(19)10-16(17)20/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 415.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133189363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).