N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

C22H22N4O4S — CID 47047920

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 47047920) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
• PubChem CID: 47047920
• Molecular Formula: C22H22N4O4S
• Molecular Weight: 438.51 g/mol
• Exact Mass: 438.14
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
• SMILES: CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc21
• InChI: InChI=1S/C22H22N4O4S/c1-3-20(28)26-9-8-14-10-15(4-6-18(14)26)21(29)25-22-24-17(12-31-22)19-7-5-16(30-19)11-23-13(2)27/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,23,27)(H,24,25,29)
• InChIKey: FHQAOCPGULTRNP-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.51
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 47047920) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)Nc3nc(-c4ccc(CNC(C)=O)o4)cs3)ccc21.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?

The InChIKey is FHQAOCPGULTRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-3-20(28)26-9-8-14-10-15(4-6-18(14)26)21(29)25-22-24-17(12-31-22)19-7-5-16(30-19)11-23-13(2)27/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,23,27)(H,24,25,29).

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 47047920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).