2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide

C20H26N2O3S2 — CID 55892993

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S2/c1-14-6-7-15(2)19(12-14)26-13-20(23)21-16(3)17-8-10-18(11-9-17)27(24,25)22(4)5/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyUNTVSPFABSQSCL-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.52
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide (PubChem CID 55892993) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
PubChem CID55892993
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H26N2O3S2/c1-14-6-7-15(2)19(12-14)26-13-20(23)21-16(3)17-8-10-18(11-9-17)27(24,25)22(4)5/h6-12,16H,13H2,1-5H3,(H,21,23)
InChIKeyUNTVSPFABSQSCL-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide
CID 55894004
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]propanamide
CID 55893631
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286
3-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide;hydrochloride
CID 119741190
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]butanamide
CID 119299114
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667680
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide (CID 55892993) is 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide is Cc1ccc(C)c(SCC(=O)NC(C)c2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide?
The InChIKey is UNTVSPFABSQSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-14-6-7-15(2)19(12-14)26-13-20(23)21-16(3)17-8-10-18(11-9-17)27(24,25)22(4)5/h6-12,16H,13H2,1-5H3,(H,21,23).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 55892993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).