2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide

C16H13N3O4S — CID 2738659

IUPAC2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C(N)=O
InChIInChI=1S/C16H13N3O4S/c1-8-7-24-14(12(8)13(17)21)18-11(20)6-19-15(22)9-4-2-3-5-10(9)16(19)23/h2-5,7H,6H2,1H3,(H2,17,21)(H,18,20)
InChIKeyAQSRYDVOSKLNLX-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.39
Rot. Bonds4

About 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide

2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide (PubChem CID 2738659) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide
PubChem CID2738659
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide
SMILESCc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C(N)=O
InChIInChI=1S/C16H13N3O4S/c1-8-7-24-14(12(8)13(17)21)18-11(20)6-19-15(22)9-4-2-3-5-10(9)16(19)23/h2-5,7H,6H2,1H3,(H2,17,21)(H,18,20)
InChIKeyAQSRYDVOSKLNLX-UHFFFAOYSA-N
XLogP1.39
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide (CID 2738659) is 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide is Cc1csc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1C(N)=O.
What is the InChIKey of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide?
The InChIKey is AQSRYDVOSKLNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-8-7-24-14(12(8)13(17)21)18-11(20)6-19-15(22)9-4-2-3-5-10(9)16(19)23/h2-5,7H,6H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide?
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 2738659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).