5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide

C18H16N2O4S2 — CID 22351683

IUPAC5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide
SMILESCC(=O)c1ccc(SSc2ccc(C(C)=O)cc2C(N)=O)c(C(N)=O)c1
InChIInChI=1S/C18H16N2O4S2/c1-9(21)11-3-5-15(13(7-11)17(19)23)25-26-16-6-4-12(10(2)22)8-14(16)18(20)24/h3-8H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyTZUOTVOJJUHDKB-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.09
Rot. Bonds7

About 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide

5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide (PubChem CID 22351683) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide.

Molecular Properties

Compound Name5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide
PubChem CID22351683
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide
SMILESCC(=O)c1ccc(SSc2ccc(C(C)=O)cc2C(N)=O)c(C(N)=O)c1
InChIInChI=1S/C18H16N2O4S2/c1-9(21)11-3-5-15(13(7-11)17(19)23)25-26-16-6-4-12(10(2)22)8-14(16)18(20)24/h3-8H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyTZUOTVOJJUHDKB-UHFFFAOYSA-N
XLogP3.09
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-acetyl-2-sulfanylbenzamide
CID 22351950
3,4-diacetylbenzamide
CID 70447380
2-[[2-carbamoyl-4-[(2,2,2-trifluoroacetyl)amino]phenyl]disulfanyl]-5-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 6483554
1-(3-methyl-4-methylsulfanylphenyl)ethanone
CID 70350820
1-[3-acetyl-4-(aminomethoxy)phenyl]ethanone
CID 173058380
1-(4-amino-3-methylsulfanylphenyl)ethanone
CID 116998547
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
3-acetyl-4-methylsulfanylbenzoic acid
CID 22745163
5-ethanethioyl-2-fluorobenzamide
CID 143472419
1-(4-acetyl-3-prop-1-en-2-ylphenyl)ethanone
CID 143618771
1-(3-bromo-4-propan-2-ylsulfanylphenyl)ethanone
CID 62911150
1-(4-acetylphenyl)ethanone;methane
CID 159515104

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide?
The IUPAC name of 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide (CID 22351683) is 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide.
What is the SMILES notation for 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide?
The canonical SMILES for 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide is CC(=O)c1ccc(SSc2ccc(C(C)=O)cc2C(N)=O)c(C(N)=O)c1.
What is the InChIKey of 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide?
The InChIKey is TZUOTVOJJUHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-9(21)11-3-5-15(13(7-11)17(19)23)25-26-16-6-4-12(10(2)22)8-14(16)18(20)24/h3-8H,1-2H3,(H2,19,23)(H2,20,24).
What are the key properties of 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide?
5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[(4-acetyl-2-carbamoylphenyl)disulfanyl]benzamide is sourced from PubChem (CID 22351683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).