(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C₂₄H₃₁FN₂O₃S — CID 144588370

About (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 144588370) has the molecular formula C₂₄H₃₁FN₂O₃S and a molecular weight of 446.59 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
• PubChem CID: 144588370
• Molecular Formula: C₂₄H₃₁FN₂O₃S
• Molecular Weight: 446.59 g/mol
• Exact Mass: 446.20
• IUPAC Name: (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
• SMILES: CCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)sc1-c1cccc(F)c1O
• InChI: InChI=1S/C24H31FN2O3S/c1-3-4-6-16-13-21(31-23(16)18-7-5-8-19(25)22(18)28)15(2)27(17-9-10-17)24(29)20-14-26-11-12-30-20/h5,7-8,13,15,17,20,26,28H,3-4,6,9-12,14H2,1-2H3/t15-,20-/m1/s1
• InChIKey: JXDMKKQTYTXZCW-FOIQADDNSA-N
• XLogP: 4.64
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?

The IUPAC name of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 144588370) is (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?

The canonical SMILES for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is CCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)sc1-c1cccc(F)c1O.

What is the InChIKey of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?

The InChIKey is JXDMKKQTYTXZCW-FOIQADDNSA-N. The full InChI is InChI=1S/C24H31FN2O3S/c1-3-4-6-16-13-21(31-23(16)18-7-5-8-19(25)22(18)28)15(2)27(17-9-10-17)24(29)20-14-26-11-12-30-20/h5,7-8,13,15,17,20,26,28H,3-4,6,9-12,14H2,1-2H3/t15-,20-/m1/s1.

What are the key properties of (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?

(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 144588370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144588370 — identifiers, structure, computed properties (public domain)

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