N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

C18H20Cl2N2O5S — CID 132674090

IUPACN-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-14-8-12(19)7-13(20)9-14)22(28(4,24)25)15-5-6-16(26-2)17(10-15)27-3/h5-11H,1-4H3,(H,21,23)
InChIKeyMXVDFLWXUXRXPM-UHFFFAOYSA-N
MW447.34 g/mol
LogP3.80
Rot. Bonds7

About N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 132674090) has the molecular formula C18H20Cl2N2O5S and a molecular weight of 447.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
PubChem CID132674090
Molecular FormulaC18H20Cl2N2O5S
Molecular Weight447.34 g/mol
Exact Mass446.05
IUPAC NameN-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-14-8-12(19)7-13(20)9-14)22(28(4,24)25)15-5-6-16(26-2)17(10-15)27-3/h5-11H,1-4H3,(H,21,23)
InChIKeyMXVDFLWXUXRXPM-UHFFFAOYSA-N
XLogP3.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-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

(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 41468656
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
N-(3,4-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674088
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2964493
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 132674080
methyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoylamino]benzoate
CID 132670718
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166604
(2S)-N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1003077
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(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)-N-(3,5-dimethylphenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1131201

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (CID 132674090) is N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is MXVDFLWXUXRXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-14-8-12(19)7-13(20)9-14)22(28(4,24)25)15-5-6-16(26-2)17(10-15)27-3/h5-11H,1-4H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 447.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132674090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).