N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide

C17H28N2O3S2 — CID 133164856

IUPACN-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C17H28N2O3S2/c1-5-7-8-14(6-2)12-18-24(21,22)15-9-10-17(23-4)16(11-15)19-13(3)20/h9-11,14,18H,5-8,12H2,1-4H3,(H,19,20)
InChIKeySBUUIVLMVLOLGX-UHFFFAOYSA-N
MW372.56 g/mol
LogP3.86
Rot. Bonds10

About N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide

N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide (PubChem CID 133164856) has the molecular formula C17H28N2O3S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
PubChem CID133164856
Molecular FormulaC17H28N2O3S2
Molecular Weight372.56 g/mol
Exact Mass372.15
IUPAC NameN-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C17H28N2O3S2/c1-5-7-8-14(6-2)12-18-24(21,22)15-9-10-17(23-4)16(11-15)19-13(3)20/h9-11,14,18H,5-8,12H2,1-4H3,(H,19,20)
InChIKeySBUUIVLMVLOLGX-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100553378
N-(2-ethylhexyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 133229560
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide (CID 133164856) is N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide is CCCCC(CC)CNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The InChIKey is SBUUIVLMVLOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S2/c1-5-7-8-14(6-2)12-18-24(21,22)15-9-10-17(23-4)16(11-15)19-13(3)20/h9-11,14,18H,5-8,12H2,1-4H3,(H,19,20).
What are the key properties of N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide has a molecular weight of 372.56 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 133164856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).