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

C13H20N2O3S2 — CID 100553378

IUPACN-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O3S2/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyQVCFIHKPIAZDRQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.45
Rot. Bonds7

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

N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide (PubChem CID 100553378) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
PubChem CID100553378
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide
SMILESCCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1
InChIInChI=1S/C13H20N2O3S2/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyQVCFIHKPIAZDRQ-UHFFFAOYSA-N
XLogP2.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 133164856
N-[5-[3-(2-chlorophenyl)propylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100565594
N-[2-methoxy-5-(pentylsulfamoyl)phenyl]acetamide
CID 8777676
N-[5-(diethylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 100500584
N-[5-[(2-methylphenyl)methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100537759
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268
N-[5-[3-(4-ethoxyphenyl)propylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100641134
5-(butylsulfamoyl)-2-(propan-2-ylamino)benzoic acid
CID 99981853
2-methyl-N-[2-methylsulfanyl-5-[2-(4-propylphenoxy)ethylsulfamoyl]phenyl]propanamide
CID 100564472
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide (CID 100553378) is N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide is CCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
The InChIKey is QVCFIHKPIAZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide?
N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylsulfamoyl)-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100553378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).