N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide

C18H11N3O4S2 — CID 3600207

IUPACN-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C18H11N3O4S2/c22-15(13-6-3-8-26-13)19-12-7-9-27-14(12)16(23)20-21-17(24)10-4-1-2-5-11(10)18(21)25/h1-9H,(H,19,22)(H,20,23)
InChIKeyIYAODIHIZYSNMR-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.00
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide

N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide (PubChem CID 3600207) has the molecular formula C18H11N3O4S2 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide
PubChem CID3600207
Molecular FormulaC18H11N3O4S2
Molecular Weight397.44 g/mol
Exact Mass397.02
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide
SMILESO=C(Nc1ccsc1C(=O)NN1C(=O)c2ccccc2C1=O)c1cccs1
InChIInChI=1S/C18H11N3O4S2/c22-15(13-6-3-8-26-13)19-12-7-9-27-14(12)16(23)20-21-17(24)10-4-1-2-5-11(10)18(21)25/h1-9H,(H,19,22)(H,20,23)
InChIKeyIYAODIHIZYSNMR-UHFFFAOYSA-N
XLogP3.00
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 17412743
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3336196
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
3-bromo-N-(2-thiophen-2-ylphenyl)thiophene-2-carboxamide
CID 60778239
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332113
N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]thiophene-2-carboxamide
CID 54858187
N-[3-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]phenyl]thiophene-2-carboxamide
CID 19318838
(1,3-dioxoisoindol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 42972045
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide (CID 3600207) is N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide is O=C(Nc1ccsc1C(=O)NN1C(=O)c2ccccc2C1=O)c1cccs1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide?
The InChIKey is IYAODIHIZYSNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O4S2/c22-15(13-6-3-8-26-13)19-12-7-9-27-14(12)16(23)20-21-17(24)10-4-1-2-5-11(10)18(21)25/h1-9H,(H,19,22)(H,20,23).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide?
N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-3-(thiophene-2-carbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 3600207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).