2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide

C15H24N2O3S2 — CID 29288985

IUPAC2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CSC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S2/c1-15(2,3)21-10-14(18)17-9-12-5-7-13(8-6-12)11-22(19,20)16-4/h5-8,16H,9-11H2,1-4H3,(H,17,18)
InChIKeyAWRPIWSJVGCIDE-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.88
Rot. Bonds7

About 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide

2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 29288985) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID29288985
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CSC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O3S2/c1-15(2,3)21-10-14(18)17-9-12-5-7-13(8-6-12)11-22(19,20)16-4/h5-8,16H,9-11H2,1-4H3,(H,17,18)
InChIKeyAWRPIWSJVGCIDE-UHFFFAOYSA-N
XLogP1.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 24644984
4-cyclohexyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24560673
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16609928
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81222834
2-tert-butylsulfanyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 54904297
2-methyl-1-[[4-(methylsulfamoylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110913551
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 34557591
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 33284711

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide (CID 29288985) is 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide is CNS(=O)(=O)Cc1ccc(CNC(=O)CSC(C)(C)C)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is AWRPIWSJVGCIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-15(2,3)21-10-14(18)17-9-12-5-7-13(8-6-12)11-22(19,20)16-4/h5-8,16H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 29288985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).