2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H14N2O3S — CID 4882044

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H14N2O3S/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyPAXWSBGXNSYLAB-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.05
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide

2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 4882044) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID4882044
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1cccs1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H14N2O3S/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-8,10H,9H2,1H3,(H,17,19)
InChIKeyPAXWSBGXNSYLAB-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.05
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

2-[(5-Acetylthiophen-3-yl)methyl]-1h-isoindole-1,3(2h)-dione
CID 778779
(2R)-2-[(3S,4R)-1-[6-(1,3-dioxoisoindol-2-yl)hexanoyl]-4-sulfanylpyrrolidin-3-yl]sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 73345835
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
2-[[2-(1,3-Dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 2738659
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
3'-(2-Oxo-2-thiophen-2-ylethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 16324508
(3R)-N-(3-methoxypropyl)-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17576466
(3R)-N-(2-methylpropyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17577040
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
3-Oxo-2-propyl-N-[1-(thiophen-2-YL)ethyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551005

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 4882044) is 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide is CC(C(=O)NCc1cccs1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is PAXWSBGXNSYLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10(14(19)17-9-11-5-4-8-22-11)18-15(20)12-6-2-3-7-13(12)16(18)21/h2-8,10H,9H2,1H3,(H,17,19).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 4882044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).