N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H17N3O3S — CID 19188936

IUPACN-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-15(12(2)9-11)20-19(26)21-16(23)10-22-17(24)13-5-3-4-6-14(13)18(22)25/h3-9H,10H2,1-2H3,(H2,20,21,23,26)
InChIKeyRCAPWBXMWMCXDX-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.41
Rot. Bonds3

About N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 19188936) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID19188936
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-7-8-15(12(2)9-11)20-19(26)21-16(23)10-22-17(24)13-5-3-4-6-14(13)18(22)25/h3-9H,10H2,1-2H3,(H2,20,21,23,26)
InChIKeyRCAPWBXMWMCXDX-UHFFFAOYSA-N
XLogP2.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 19189022
N-(tert-butylcarbamothioyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 19188920
N-[(2,4-dimethylphenyl)carbamothioyl]heptanamide
CID 54789192
2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-4-nitrophenyl)acetamide
CID 2878056
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
[2-(2,4-dimethylanilino)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 1182293
N-(2,6-dibromo-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16520905
2-(2,5-dimethylphenoxy)-N-[(2,4-dimethylphenyl)carbamothioyl]acetamide
CID 916665
N-[(2,4-dimethylphenyl)carbamothioyl]-2-naphthalen-1-yloxyacetamide
CID 3389667
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767299

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 19188936) is N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RCAPWBXMWMCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-7-8-15(12(2)9-11)20-19(26)21-16(23)10-22-17(24)13-5-3-4-6-14(13)18(22)25/h3-9H,10H2,1-2H3,(H2,20,21,23,26).
What are the key properties of N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 19188936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).