N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide

C11H13NO3S2 — CID 165346007

IUPACN-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide
SMILESC=CCSS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO3S2/c1-3-8-16-17(14,15)11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyCULVVBUOSZILLU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.25
Rot. Bonds5

About N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide

N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide (PubChem CID 165346007) has the molecular formula C11H13NO3S2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide
PubChem CID165346007
Molecular FormulaC11H13NO3S2
Molecular Weight271.36 g/mol
Exact Mass271.03
IUPAC NameN-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide
SMILESC=CCSS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C11H13NO3S2/c1-3-8-16-17(14,15)11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13)
InChIKeyCULVVBUOSZILLU-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylsulfanylsulfonylphenyl)-2-methylprop-2-enamide
CID 3633698
2-acetamido-3-(4-acetamidophenyl)sulfonylsulfanylpropanoic acid
CID 3507711
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
CID 148879032
N-[4-(prop-2-enylcarbamothioylsulfamoyl)phenyl]acetamide
CID 121011371
4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 7687450
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285005

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide (CID 165346007) is N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide is C=CCSS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide?
The InChIKey is CULVVBUOSZILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S2/c1-3-8-16-17(14,15)11-6-4-10(5-7-11)12-9(2)13/h3-7H,1,8H2,2H3,(H,12,13).
What are the key properties of N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide?
N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enylsulfanylsulfonylphenyl)acetamide is sourced from PubChem (CID 165346007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).