N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide

C21H16N2O3S — CID 110635875

IUPACN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O3S/c24-19(12-11-16-4-3-13-27-16)22-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24)
InChIKeyDATDAMBFMJQYKT-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.12
Rot. Bonds5

About N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide

N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 110635875) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID110635875
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H16N2O3S/c24-19(12-11-16-4-3-13-27-16)22-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24)
InChIKeyDATDAMBFMJQYKT-UHFFFAOYSA-N
XLogP4.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.12
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

N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
3-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4913564
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2589988
N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-2-ylpropanamide
CID 8614889
3-phenyl-N-[4-[4-(2-thiophen-2-ylethylamino)piperidin-1-yl]phenyl]propanamide
CID 26402333
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3-thiophen-2-ylpropanamide
CID 75482522
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide (CID 110635875) is N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is DATDAMBFMJQYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-19(12-11-16-4-3-13-27-16)22-14-7-9-15(10-8-14)23-20(25)17-5-1-2-6-18(17)21(23)26/h1-10,13H,11-12H2,(H,22,24).
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide?
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 376.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110635875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).