2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

C21H26N2O4S2 — CID 4827661

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O4S2/c1-15-4-5-16(2)19(12-15)28-14-21(24)22-18-7-6-17(3)20(13-18)29(25,26)23-8-10-27-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyYQIDHSYNGLXLHQ-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.36
Rot. Bonds6

About 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4827661) has the molecular formula C21H26N2O4S2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4827661
Molecular FormulaC21H26N2O4S2
Molecular Weight434.58 g/mol
Exact Mass434.13
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C21H26N2O4S2/c1-15-4-5-16(2)19(12-15)28-14-21(24)22-18-7-6-17(3)20(13-18)29(25,26)23-8-10-27-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24)
InChIKeyYQIDHSYNGLXLHQ-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4827661) is 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is Cc1ccc(C)c(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is YQIDHSYNGLXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S2/c1-15-4-5-16(2)19(12-15)28-14-21(24)22-18-7-6-17(3)20(13-18)29(25,26)23-8-10-27-11-9-23/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,24).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 434.58 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4827661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).