N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C23H19N3O3S — CID 53393838

IUPACN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)ccc21
InChIInChI=1S/C23H19N3O3S/c1-2-21(27)26-10-9-15-11-14(7-8-18(15)26)17-13-30-23(24-17)25-22(28)20-12-16-5-3-4-6-19(16)29-20/h3-8,11-13H,2,9-10H2,1H3,(H,24,25,28)
InChIKeyVAOZYJRAQVDAPF-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.11
Rot. Bonds4

About N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 53393838) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID53393838
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)ccc21
InChIInChI=1S/C23H19N3O3S/c1-2-21(27)26-10-9-15-11-14(7-8-18(15)26)17-13-30-23(24-17)25-22(28)20-12-16-5-3-4-6-19(16)29-20/h3-8,11-13H,2,9-10H2,1H3,(H,24,25,28)
InChIKeyVAOZYJRAQVDAPF-UHFFFAOYSA-N
XLogP5.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-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 N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 53393838) is N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)ccc21.
What is the InChIKey of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is VAOZYJRAQVDAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-2-21(27)26-10-9-15-11-14(7-8-18(15)26)17-13-30-23(24-17)25-22(28)20-12-16-5-3-4-6-19(16)29-20/h3-8,11-13H,2,9-10H2,1H3,(H,24,25,28).
What are the key properties of N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 53393838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).