N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide

C19H14N2O2S — CID 54858187

IUPACN-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1cccs1
InChIInChI=1S/C19H14N2O2S/c22-18(17-6-3-11-24-17)20-14-7-9-15(10-8-14)21-12-13-4-1-2-5-16(13)19(21)23/h1-11H,12H2,(H,20,22)
InChIKeyKOUXWLYPUQAIEJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.16
Rot. Bonds3

About N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide

N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 54858187) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID54858187
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1cccs1
InChIInChI=1S/C19H14N2O2S/c22-18(17-6-3-11-24-17)20-14-7-9-15(10-8-14)21-12-13-4-1-2-5-16(13)19(21)23/h1-11H,12H2,(H,20,22)
InChIKeyKOUXWLYPUQAIEJ-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]thiophene-2-carboxamide
CID 112989553
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
4-ethyl-N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]carbamothioyl]benzamide
CID 54860005
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 34752632
N-(4-sulfanylphenyl)thiophene-2-carboxamide
CID 27126639
2-(2-oxo-2-thiophen-2-ylethyl)-3H-isoindol-1-one
CID 62023811
[4-(thiophene-2-carbonylamino)phenyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 32981938
N-[4-(cyanomethyl)phenyl]thiophene-2-carboxamide
CID 574246
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(thiophene-2-carbonyl)benzamide
CID 38715443
N-[4-(4-ethylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 7341667
N-[[4-(3-oxo-1H-isoindol-2-yl)phenyl]methyl]acetamide
CID 56624959

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide (CID 54858187) is N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1cccs1.
What is the InChIKey of N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is KOUXWLYPUQAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18(17-6-3-11-24-17)20-14-7-9-15(10-8-14)21-12-13-4-1-2-5-16(13)19(21)23/h1-11H,12H2,(H,20,22).
What are the key properties of N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54858187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).