N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide

C15H10N2O3S — CID 881135

IUPACN-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)C=CC2=O)c1)c1cccs1
InChIInChI=1S/C15H10N2O3S/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)
InChIKeyAQYIHFNHIHSZAH-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.43
Rot. Bonds3

About N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide

N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 881135) has the molecular formula C15H10N2O3S and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID881135
Molecular FormulaC15H10N2O3S
Molecular Weight298.32 g/mol
Exact Mass298.04
IUPAC NameN-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)C=CC2=O)c1)c1cccs1
InChIInChI=1S/C15H10N2O3S/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)
InChIKeyAQYIHFNHIHSZAH-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.43
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-aminophenyl)thiophene-2-carboxamide
CID 736373
N-(4-methylphenyl)thiophene-2-carboxamide
CID 2292972
N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(2,4-Difluorophenyl)-2-thiophenecarboxamide
CID 762625
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N,N'-1,4-Phenylenebis[2-thiophenecarboxamide]
CID 573445
N-(3-aminophenyl)thiophene-2-carboxamide
CID 675398
N-phenyl-3-thiophenecarboxamide
CID 902479
2-Thiophenecarboxamide, N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-
CID 213545
N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 687455
4-[(Thiophen-2-ylacetyl)amino]benzamide
CID 670145

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide (CID 881135) is N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(N2C(=O)C=CC2=O)c1)c1cccs1.
What is the InChIKey of N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is AQYIHFNHIHSZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3S/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20).
What are the key properties of N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide?
N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrol-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 881135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).