N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide

C16H16Cl2N2O3S — CID 22304575

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)c1ccccc1NCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)15-5-3-2-4-14(15)19-10-16(21)20-9-11-6-7-12(17)8-13(11)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyZOZHGHXQGOLGPO-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.13
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide (PubChem CID 22304575) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
PubChem CID22304575
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)c1ccccc1NCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)15-5-3-2-4-14(15)19-10-16(21)20-9-11-6-7-12(17)8-13(11)18/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyZOZHGHXQGOLGPO-UHFFFAOYSA-N
XLogP3.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
2-(2-bromo-3-methylsulfonylanilino)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 22305027
N-[(2,4-dichlorophenyl)methyl]-2-(methanesulfonamido)benzamide
CID 31321210
N-[(2-chlorophenyl)methyl]-2-(2-propan-2-ylanilino)acetamide
CID 33161990
N-[(2-chlorophenyl)methyl]-2-(2,3-dimethylanilino)acetamide
CID 26416416
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
2-(2-bromo-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 51342994
2-(methylamino)-N-[(2-methylsulfonylphenyl)methyl]acetamide
CID 110470517
N-[(2,4-dichlorophenyl)methyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 51343008
1-[(2,4-dichlorophenyl)methyl]-3-(2-fluorophenyl)urea
CID 47103647
1-[(2,4-dichlorophenyl)methyl]-3-(2-methylsulfanylphenyl)urea
CID 4584887

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide (CID 22304575) is N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide is CS(=O)(=O)c1ccccc1NCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide?
The InChIKey is ZOZHGHXQGOLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-24(22,23)15-5-3-2-4-14(15)19-10-16(21)20-9-11-6-7-12(17)8-13(11)18/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide has a molecular weight of 387.29 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide is sourced from PubChem (CID 22304575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).