5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide

C18H19ClFN3O4S — CID 21070710

About 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide

5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 21070710) has the molecular formula C18H19ClFN3O4S and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
• PubChem CID: 21070710
• Molecular Formula: C18H19ClFN3O4S
• Molecular Weight: 427.89 g/mol
• Exact Mass: 427.08
• IUPAC Name: 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
• SMILES: O=C(NCC(O)CNc1ccc(N2CCOCC2=O)c(F)c1)c1ccc(Cl)s1
• InChI: InChI=1S/C18H19ClFN3O4S/c19-16-4-3-15(28-16)18(26)22-9-12(24)8-21-11-1-2-14(13(20)7-11)23-5-6-27-10-17(23)25/h1-4,7,12,21,24H,5-6,8-10H2,(H,22,26)
• InChIKey: IRZZJNIBNHRPSA-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.89
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide (CID 21070710) is 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide is O=C(NCC(O)CNc1ccc(N2CCOCC2=O)c(F)c1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide?

The InChIKey is IRZZJNIBNHRPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O4S/c19-16-4-3-15(28-16)18(26)22-9-12(24)8-21-11-1-2-14(13(20)7-11)23-5-6-27-10-17(23)25/h1-4,7,12,21,24H,5-6,8-10H2,(H,22,26).

What are the key properties of 5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide?

5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.11, 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-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 21070710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).