N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide

C19H22F3N3O4S2 — CID 130180532

About N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide

N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide (PubChem CID 130180532) has the molecular formula C19H22F3N3O4S2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide
• PubChem CID: 130180532
• Molecular Formula: C19H22F3N3O4S2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.10
• IUPAC Name: N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide
• SMILES: Cc1ccsc1C(=O)N1CCOCC1CNC(=O)c1ccc(CNC(O)C(F)(F)F)s1
• InChI: InChI=1S/C19H22F3N3O4S2/c1-11-4-7-30-15(11)17(27)25-5-6-29-10-12(25)8-23-16(26)14-3-2-13(31-14)9-24-18(28)19(20,21)22/h2-4,7,12,18,24,28H,5-6,8-10H2,1H3,(H,23,26)
• InChIKey: XXEGQRPMEOVOIB-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide?

The IUPAC name of N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide (CID 130180532) is N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)N1CCOCC1CNC(=O)c1ccc(CNC(O)C(F)(F)F)s1.

What is the InChIKey of N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide?

The InChIKey is XXEGQRPMEOVOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4S2/c1-11-4-7-30-15(11)17(27)25-5-6-29-10-12(25)8-23-16(26)14-3-2-13(31-14)9-24-18(28)19(20,21)22/h2-4,7,12,18,24,28H,5-6,8-10H2,1H3,(H,23,26).

What are the key properties of N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide?

N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3-methylthiophene-2-carbonyl)morpholin-3-yl]methyl]-5-[[(2,2,2-trifluoro-1-hydroxyethyl)amino]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 130180532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).