N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H17N3O3S — CID 19188984

IUPACN-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17N3O3S/c1-21(11-13-7-3-2-4-8-13)19(26)20-16(23)12-22-17(24)14-9-5-6-10-15(14)18(22)25/h2-10H,11-12H2,1H3,(H,20,23,26)
InChIKeyUFGJKZCPQVTERG-UHFFFAOYSA-N
MW367.43 g/mol
LogP1.82
Rot. Bonds4

About N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 19188984) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID19188984
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(Cc1ccccc1)C(=S)NC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17N3O3S/c1-21(11-13-7-3-2-4-8-13)19(26)20-16(23)12-22-17(24)14-9-5-6-10-15(14)18(22)25/h2-10H,11-12H2,1H3,(H,20,23,26)
InChIKeyUFGJKZCPQVTERG-UHFFFAOYSA-N
XLogP1.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 19188984) is N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CN(Cc1ccccc1)C(=S)NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is UFGJKZCPQVTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-21(11-13-7-3-2-4-8-13)19(26)20-16(23)12-22-17(24)14-9-5-6-10-15(14)18(22)25/h2-10H,11-12H2,1H3,(H,20,23,26).
What are the key properties of N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(methyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 19188984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).