2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C19H18N2O3S — CID 32796362

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C19H18N2O3S/c1-11-4-5-12(2)16(8-11)25-10-17(22)20-13-6-7-14-15(9-13)19(24)21(3)18(14)23/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyFLFAHILMOVHXBO-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 32796362) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID32796362
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1
InChIInChI=1S/C19H18N2O3S/c1-11-4-5-12(2)16(8-11)25-10-17(22)20-13-6-7-14-15(9-13)19(24)21(3)18(14)23/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyFLFAHILMOVHXBO-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26907016
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32799074
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7545109
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
5-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43474487

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 32796362) is 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is Cc1ccc(C)c(SCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is FLFAHILMOVHXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-11-4-5-12(2)16(8-11)25-10-17(22)20-13-6-7-14-15(9-13)19(24)21(3)18(14)23/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 354.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 32796362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).