2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide

C17H19ClN2O3S2 — CID 2222608

IUPAC2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-24-16-5-3-4-15(10-16)19-17(21)12-20(25(2,22)23)11-13-6-8-14(18)9-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyYTQJZJJFIRAKHI-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.46
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide

2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 2222608) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID2222608
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-24-16-5-3-4-15(10-16)19-17(21)12-20(25(2,22)23)11-13-6-8-14(18)9-7-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyYTQJZJJFIRAKHI-UHFFFAOYSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide (CID 2222608) is 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is YTQJZJJFIRAKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-24-16-5-3-4-15(10-16)19-17(21)12-20(25(2,22)23)11-13-6-8-14(18)9-7-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 398.94 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2222608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).