N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H18N2O5S — CID 16838342

IUPACN-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C19H18N2O5S/c1-11(2)27(25,26)13-8-6-12(7-9-13)10-16(22)20-15-5-3-4-14-17(15)19(24)21-18(14)23/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeySHIGPGKPPNJEJH-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.93
Rot. Bonds5

About N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838342) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838342
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1
InChIInChI=1S/C19H18N2O5S/c1-11(2)27(25,26)13-8-6-12(7-9-13)10-16(22)20-15-5-3-4-14-17(15)19(24)21-18(14)23/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeySHIGPGKPPNJEJH-UHFFFAOYSA-N
XLogP1.93
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
(1,3-dioxoisoindol-4-yl)carbamic acid
CID 69050787
2-(5-chlorothiophen-2-yl)-N-(1,3-dioxoisoindol-4-yl)acetamide
CID 41340452
5-methyl-2-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]benzoic acid
CID 120537846
N-(1,2-dihydroacenaphthylen-5-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838382
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-(1,3-dioxoisoindol-4-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 17362404
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
N-(5-methyl-1H-imidazol-2-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 84599696
4-(dimethylsulfamoyl)-N-[2-[(1,3-dioxoisoindol-4-yl)amino]-2-oxoethanethioyl]benzamide
CID 3267938

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838342) is N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2C(=O)NC3=O)cc1.
What is the InChIKey of N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is SHIGPGKPPNJEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-11(2)27(25,26)13-8-6-12(7-9-13)10-16(22)20-15-5-3-4-14-17(15)19(24)21-18(14)23/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 386.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-4-yl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).