2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

C19H22Cl2N2O3S — CID 46764303

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-18(14-7-5-13(2)6-8-14)22-19(24)12-23(27(3,25)26)15-9-10-16(20)17(21)11-15/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyNJEICWZGBSENLL-UHFFFAOYSA-N
MW429.37 g/mol
LogP4.34
Rot. Bonds7

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 46764303) has the molecular formula C19H22Cl2N2O3S and a molecular weight of 429.37 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
PubChem CID46764303
Molecular FormulaC19H22Cl2N2O3S
Molecular Weight429.37 g/mol
Exact Mass428.07
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1
InChIInChI=1S/C19H22Cl2N2O3S/c1-4-18(14-7-5-13(2)6-8-14)22-19(24)12-23(27(3,25)26)15-9-10-16(20)17(21)11-15/h5-11,18H,4,12H2,1-3H3,(H,22,24)
InChIKeyNJEICWZGBSENLL-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94012819
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92680773
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902646
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 92679208
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
2-(2-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 99958229
N-[(1S)-1-(4-methylphenyl)propyl]-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30274932
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1S)-1-phenylpropyl]acetamide
CID 30305609
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133262289
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38008993

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide (CID 46764303) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O)c1ccc(C)cc1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
The InChIKey is NJEICWZGBSENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O3S/c1-4-18(14-7-5-13(2)6-8-14)22-19(24)12-23(27(3,25)26)15-9-10-16(20)17(21)11-15/h5-11,18H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 429.37 g/mol, XLogP of 4.34, 7 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-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 46764303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).