2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

C17H20N2O4S2 — CID 1291266

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C17H20N2O4S2/c1-19(25(21,22)14-10-8-13(23-2)9-11-14)12-17(20)18-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyGWVWRWUYWUTOFA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.68
Rot. Bonds7

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 1291266) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID1291266
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C17H20N2O4S2/c1-19(25(21,22)14-10-8-13(23-2)9-11-14)12-17(20)18-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyGWVWRWUYWUTOFA-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide (CID 1291266) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is GWVWRWUYWUTOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-19(25(21,22)14-10-8-13(23-2)9-11-14)12-17(20)18-15-6-4-5-7-16(15)24-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1291266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).