N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide

C19H23ClN2O5S — CID 132668096

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1cc(NC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN2O5S/c1-12-7-6-8-14(9-12)22(28(5,24)25)13(2)19(23)21-16-11-17(26-3)15(20)10-18(16)27-4/h6-11,13H,1-5H3,(H,21,23)
InChIKeyOEOOUZXWOCXGLQ-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.46
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 132668096) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
PubChem CID132668096
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
SMILESCOc1cc(NC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C19H23ClN2O5S/c1-12-7-6-8-14(9-12)22(28(5,24)25)13(2)19(23)21-16-11-17(26-3)15(20)10-18(16)27-4/h6-11,13H,1-5H3,(H,21,23)
InChIKeyOEOOUZXWOCXGLQ-UHFFFAOYSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,6-dimethylphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132654304
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132656635
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 124561308
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2234263
N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2978487
(2R)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 124561113
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 100641711
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 132666327
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 41468656
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 53281520
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 7379124
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide (CID 132668096) is N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide is COc1cc(NC(=O)C(C)N(c2cccc(C)c2)S(C)(=O)=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is OEOOUZXWOCXGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-12-7-6-8-14(9-12)22(28(5,24)25)13(2)19(23)21-16-11-17(26-3)15(20)10-18(16)27-4/h6-11,13H,1-5H3,(H,21,23).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 426.92 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132668096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).