4-thiophen-3-yl-2,3-dihydroisoindol-1-one

C12H9NOS — CID 175996469

IUPAC4-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccsc1
InChIInChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyDCZXAIAJDBFBGU-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.66
Rot. Bonds1

About 4-thiophen-3-yl-2,3-dihydroisoindol-1-one

4-thiophen-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 175996469) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-thiophen-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-thiophen-3-yl-2,3-dihydroisoindol-1-one
PubChem CID175996469
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name4-thiophen-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccsc1
InChIInChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyDCZXAIAJDBFBGU-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxamide
CID 1490444
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
2-[(5-Acetylthiophen-3-yl)methyl]-1h-isoindole-1,3(2h)-dione
CID 778779
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
9b-(2-Thienyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bH)-one
CID 455079
N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide
CID 25105719
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N-(thiophen-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247020
3-Oxo-2-propyl-N-[1-(thiophen-2-YL)ethyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551005
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one (CID 175996469) is 4-thiophen-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccsc1.
What is the InChIKey of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is DCZXAIAJDBFBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-thiophen-3-yl-2,3-dihydroisoindol-1-one?
4-thiophen-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 215.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).