N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C18H16N2O3S — CID 17362404

IUPACN-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C18H16N2O3S/c1-11-5-2-3-6-12(11)9-24-10-15(21)19-14-8-4-7-13-16(14)18(23)20-17(13)22/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyZOGLYOQUISHIIE-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds5

About N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 17362404) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID17362404
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C18H16N2O3S/c1-11-5-2-3-6-12(11)9-24-10-15(21)19-14-8-4-7-13-16(14)18(23)20-17(13)22/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22,23)
InChIKeyZOGLYOQUISHIIE-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
ethyl 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate
CID 2669314
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2-amino-5-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62770873
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(2,6-dimethylphenyl)-2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]acetamide
CID 7654950
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
N-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 18081104

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 17362404) is N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1cccc2c1C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ZOGLYOQUISHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11-5-2-3-6-12(11)9-24-10-15(21)19-14-8-4-7-13-16(14)18(23)20-17(13)22/h2-8H,9-10H2,1H3,(H,19,21)(H,20,22,23).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 17362404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).