3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide

C20H22Cl2N2O4S — CID 46568097

IUPAC3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O4S/c1-14-2-6-17(29(26,27)24-8-10-28-11-9-24)13-19(14)23-20(25)7-4-15-3-5-16(21)12-18(15)22/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25)
InChIKeyIBJGXXXLEAVAST-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.89
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide

3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 46568097) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID46568097
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC Name3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O4S/c1-14-2-6-17(29(26,27)24-8-10-28-11-9-24)13-19(14)23-20(25)7-4-15-3-5-16(21)12-18(15)22/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25)
InChIKeyIBJGXXXLEAVAST-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 4640927
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 7818357
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524441
N-(2,5-dimethylphenyl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanamide
CID 26909373
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 5129808
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N-(5-chloro-2-methylphenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581514

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide (CID 46568097) is 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is IBJGXXXLEAVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-14-2-6-17(29(26,27)24-8-10-28-11-9-24)13-19(14)23-20(25)7-4-15-3-5-16(21)12-18(15)22/h2-3,5-6,12-13H,4,7-11H2,1H3,(H,23,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide?
3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 457.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).