2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

C18H20Cl2N2O3S — CID 132664782

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-8-17(12(2)9-11)21-18(23)13(3)22(26(4,24)25)14-6-7-15(19)16(20)10-14/h5-10,13H,1-4H3,(H,21,23)
InChIKeyQCFNTCCZSNLONG-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.40
Rot. Bonds5

About 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 132664782) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
PubChem CID132664782
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-8-17(12(2)9-11)21-18(23)13(3)22(26(4,24)25)14-6-7-15(19)16(20)10-14/h5-10,13H,1-4H3,(H,21,23)
InChIKeyQCFNTCCZSNLONG-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2R)-N-(2,4-dimethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 124561263
N-(2-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666717
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248741
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 132668652
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 132664793
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561203
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 132663359
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)propanamide
CID 132674141

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide (CID 132664782) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is QCFNTCCZSNLONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11-5-8-17(12(2)9-11)21-18(23)13(3)22(26(4,24)25)14-6-7-15(19)16(20)10-14/h5-10,13H,1-4H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 415.34 g/mol, XLogP of 4.40, 5 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-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 132664782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).