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

C18H20Cl2N2O3S — CID 2964493

IUPACN-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-6-17(7-12(11)2)22(26(4,24)25)13(3)18(23)21-16-9-14(19)8-15(20)10-16/h5-10,13H,1-4H3,(H,21,23)
InChIKeyHNXSWQLTFWWSLW-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.40
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 2964493) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID2964493
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC NameN-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C
InChIInChI=1S/C18H20Cl2N2O3S/c1-11-5-6-17(7-12(11)2)22(26(4,24)25)13(3)18(23)21-16-9-14(19)8-15(20)10-16/h5-10,13H,1-4H3,(H,21,23)
InChIKeyHNXSWQLTFWWSLW-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)-N-(4-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 1294176
(2R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 124551344
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 126388586
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674090
(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 41468656
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 5175766
(2S)-N-(3,5-dichlorophenyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1095129
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 99131961
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592
(2R)-N-(3,4-dimethylphenyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 126386869

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 2964493) is N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is HNXSWQLTFWWSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-11-5-6-17(7-12(11)2)22(26(4,24)25)13(3)18(23)21-16-9-14(19)8-15(20)10-16/h5-10,13H,1-4H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)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 N-(3,5-dichlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2964493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).