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

C18H20Cl2N2O5S — CID 132674080

IUPAC2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-12-5-8-16(26-2)17(9-12)27-3)22(28(4,24)25)13-6-7-14(19)15(20)10-13/h5-11H,1-4H3,(H,21,23)
InChIKeyGVJAAHWHSRTTGP-UHFFFAOYSA-N
MW447.34 g/mol
LogP3.80
Rot. Bonds7

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

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 132674080) has the molecular formula C18H20Cl2N2O5S and a molecular weight of 447.34 g/mol. Its IUPAC name is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID132674080
Molecular FormulaC18H20Cl2N2O5S
Molecular Weight447.34 g/mol
Exact Mass446.05
IUPAC Name2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-12-5-8-16(26-2)17(9-12)27-3)22(28(4,24)25)13-6-7-14(19)15(20)10-13/h5-11H,1-4H3,(H,21,23)
InChIKeyGVJAAHWHSRTTGP-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

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Related Compounds

N-(3,4-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674088
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674090
(2S)-N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)propanamide
CID 1003077
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 41468656
(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
methyl 4-[2-(3,4-dimethoxy-N-methylsulfonylanilino)propanoylamino]benzoate
CID 132670718
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 125075043
(2S)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 99644737
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 133166604
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662529

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide (CID 132674080) is 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is GVJAAHWHSRTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O5S/c1-11(18(23)21-12-5-8-16(26-2)17(9-12)27-3)22(28(4,24)25)13-6-7-14(19)15(20)10-13/h5-11H,1-4H3,(H,21,23).
What are the key properties of 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide?
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)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 2-(3,4-dichloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 132674080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).