N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide

C18H19NO4S2 — CID 55975287

IUPACN-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-3-24-12-14-4-6-16(7-5-14)18(21)19-25(22,23)17-10-8-15(9-11-17)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyZNWRWILTTOWXQF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.26
Rot. Bonds7

About N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide

N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide (PubChem CID 55975287) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide
PubChem CID55975287
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC NameN-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide
SMILESCCSCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C18H19NO4S2/c1-3-24-12-14-4-6-16(7-5-14)18(21)19-25(22,23)17-10-8-15(9-11-17)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyZNWRWILTTOWXQF-UHFFFAOYSA-N
XLogP3.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55909885
4-acetyl-N-[4-[2-[4-(methylsulfamoyl)phenyl]propan-2-yl]phenyl]sulfonylbenzamide
CID 59994942
N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
CID 56795776
(2S)-2-[[4-(ethylsulfanylmethyl)benzoyl]amino]-3-methylbutanoic acid
CID 119359676
N-[4-(2-bromoethyl)phenyl]sulfonyl-4-tert-butylbenzamide
CID 18977847
N'-(4-acetylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617244
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-acetyl-N-ethoxybenzenesulfonamide
CID 60700500
N-(4-chlorophenyl)sulfonyl-4-(4-methylphenyl)benzamide
CID 56655954
N-(4-acetylphenyl)sulfonyl-2-bromo-5-chlorobenzamide
CID 78895597
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 119465571

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide (CID 55975287) is N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide is CCSCc1ccc(C(=O)NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide?
The InChIKey is ZNWRWILTTOWXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-3-24-12-14-4-6-16(7-5-14)18(21)19-25(22,23)17-10-8-15(9-11-17)13(2)20/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide?
N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide is sourced from PubChem (CID 55975287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).