5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide

C24H22ClN3O5S — CID 174777567

About 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide

5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide (PubChem CID 174777567) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
• PubChem CID: 174777567
• Molecular Formula: C24H22ClN3O5S
• Molecular Weight: 499.98 g/mol
• Exact Mass: 499.10
• IUPAC Name: 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
• SMILES: O=C(NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
• InChI: InChI=1S/C24H22ClN3O5S/c25-21-10-9-20(34-21)24(32)27-19(13-15-1-7-18(29)8-2-15)23(31)26-16-3-5-17(6-4-16)28-11-12-33-14-22(28)30/h1-10,19,29H,11-14H2,(H,26,31)(H,27,32)
• InChIKey: GCQOUHACPFSBBY-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 107.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.98
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide (CID 174777567) is 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide?

The InChIKey is GCQOUHACPFSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c25-21-10-9-20(34-21)24(32)27-19(13-15-1-7-18(29)8-2-15)23(31)26-16-3-5-17(6-4-16)28-11-12-33-14-22(28)30/h1-10,19,29H,11-14H2,(H,26,31)(H,27,32).

What are the key properties of 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide?

5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 174777567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).