2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

C20H23Cl2N3O4S — CID 4233114

IUPAC2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c1-14-2-5-17(30(27,28)25-6-8-29-9-7-25)11-19(14)24-20(26)13-23-12-15-3-4-16(21)10-18(15)22/h2-5,10-11,23H,6-9,12-13H2,1H3,(H,24,26)
InChIKeyVTNUFQAHYNDYJD-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.05
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide

2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4233114) has the molecular formula C20H23Cl2N3O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4233114
Molecular FormulaC20H23Cl2N3O4S
Molecular Weight472.39 g/mol
Exact Mass471.08
IUPAC Name2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c1-14-2-5-17(30(27,28)25-6-8-29-9-7-25)11-19(14)24-20(26)13-23-12-15-3-4-16(21)10-18(15)22/h2-5,10-11,23H,6-9,12-13H2,1H3,(H,24,26)
InChIKeyVTNUFQAHYNDYJD-UHFFFAOYSA-N
XLogP3.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide (CID 4233114) is 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is VTNUFQAHYNDYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4S/c1-14-2-5-17(30(27,28)25-6-8-29-9-7-25)11-19(14)24-20(26)13-23-12-15-3-4-16(21)10-18(15)22/h2-5,10-11,23H,6-9,12-13H2,1H3,(H,24,26).
What are the key properties of 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 472.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylamino]-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4233114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).