5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

C17H18BrFN2O2S — CID 94332656

IUPAC5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C17H18BrFN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-1-3-13(19)4-2-12/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1
InChIKeyDREHKUFZSZSMER-AWEZNQCLSA-N
MW413.31 g/mol
LogP3.45
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 94332656) has the molecular formula C17H18BrFN2O2S and a molecular weight of 413.31 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID94332656
Molecular FormulaC17H18BrFN2O2S
Molecular Weight413.31 g/mol
Exact Mass412.03
IUPAC Name5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1
InChIInChI=1S/C17H18BrFN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-1-3-13(19)4-2-12/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1
InChIKeyDREHKUFZSZSMER-AWEZNQCLSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51878966
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
5-bromo-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 37099503
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
5-bromo-N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 39588961
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
CID 86917092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 94332656) is 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is DREHKUFZSZSMER-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18BrFN2O2S/c18-16-6-5-15(24-16)17(22)20-11-14(21-7-9-23-10-8-21)12-1-3-13(19)4-2-12/h1-6,14H,7-11H2,(H,20,22)/t14-/m0/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 413.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 94332656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).