N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

C23H23N3O4S2 — CID 71111873

About N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 71111873) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 71111873
• Molecular Formula: C23H23N3O4S2
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.11
• IUPAC Name: N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C1c2ccccc2OC1c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1
• InChI: InChI=1S/C23H23N3O4S2/c27-20-16-5-1-2-6-18(16)30-21(20)17-15-32-23(24-17)26(22(28)19-7-3-14-31-19)9-4-8-25-10-12-29-13-11-25/h1-3,5-7,14-15,21H,4,8-13H2
• InChIKey: BMHKBXCYVIPMRR-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 71.97 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 71111873) is N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C1c2ccccc2OC1c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1.

What is the InChIKey of N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is BMHKBXCYVIPMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c27-20-16-5-1-2-6-18(16)30-21(20)17-15-32-23(24-17)26(22(28)19-7-3-14-31-19)9-4-8-25-10-12-29-13-11-25/h1-3,5-7,14-15,21H,4,8-13H2.

What are the key properties of N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 71111873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).