N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide

C21H16N2O3S — CID 4219346

IUPACN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-14-8-10-15(11-9-14)22(21(26)18-7-4-12-27-18)13-23-19(24)16-5-2-3-6-17(16)20(23)25/h2-12H,13H2,1H3
InChIKeyDTSOHKFCMOIVBE-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.96
Rot. Bonds4

About N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide

N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 4219346) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID4219346
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)cc1
InChIInChI=1S/C21H16N2O3S/c1-14-8-10-15(11-9-14)22(21(26)18-7-4-12-27-18)13-23-19(24)16-5-2-3-6-17(16)20(23)25/h2-12H,13H2,1H3
InChIKeyDTSOHKFCMOIVBE-UHFFFAOYSA-N
XLogP3.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
N-[(1,3-dioxoisoindol-2-yl)methyl]-3-methyl-N-(4-phenoxyphenyl)benzamide
CID 4644831
4-tert-butyl-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-(4-methylphenyl)benzamide
CID 3981151
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
CID 4223086
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 50748919
ethyl 4-[(2-chlorobenzoyl)-[(1,3-dioxoisoindol-2-yl)methyl]amino]benzoate
CID 3959049
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylfuran-2-carboxamide
CID 4265825
N-(4-bromophenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2-fluorobenzamide
CID 4262657
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylthiophene-2-carboxamide
CID 19210463
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide (CID 4219346) is N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2cccs2)cc1.
What is the InChIKey of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is DTSOHKFCMOIVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-14-8-10-15(11-9-14)22(21(26)18-7-4-12-27-18)13-23-19(24)16-5-2-3-6-17(16)20(23)25/h2-12H,13H2,1H3.
What are the key properties of N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide?
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4219346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).