N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

C17H18N2O4S2 — CID 100686383

IUPACN-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(C)=O
InChIInChI=1S/C17H18N2O4S2/c1-11(20)13-5-4-6-14(9-13)19-25(22,23)15-7-8-17(24-3)16(10-15)18-12(2)21/h4-10,19H,1-3H3,(H,18,21)
InChIKeyDGZAJBWZWYLACZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.37
Rot. Bonds6

About N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100686383) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100686383
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(C)=O
InChIInChI=1S/C17H18N2O4S2/c1-11(20)13-5-4-6-14(9-13)19-25(22,23)15-7-8-17(24-3)16(10-15)18-12(2)21/h4-10,19H,1-3H3,(H,18,21)
InChIKeyDGZAJBWZWYLACZ-UHFFFAOYSA-N
XLogP3.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
N-[2-methylsulfanyl-5-[(2-phenylphenyl)sulfamoyl]phenyl]acetamide
CID 100732898
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
N-[2-methylsulfanyl-5-[[4-(piperidine-1-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
CID 100505777
N-[5-[(2,5-dimethylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100578977
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
N-[[4-[(3-acetylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 35933784
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(3-acetylphenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 2929512
4-[(4-acetylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 25348450
N-(3-acetylphenyl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769711
3-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 22109314

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100686383) is N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1NC(C)=O.
What is the InChIKey of N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is DGZAJBWZWYLACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11(20)13-5-4-6-14(9-13)19-25(22,23)15-7-8-17(24-3)16(10-15)18-12(2)21/h4-10,19H,1-3H3,(H,18,21).
What are the key properties of N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-acetylphenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100686383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).