5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C18H21FN2O4S — CID 20899284

IUPAC5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyMYSROGBSWUJHRM-UHFFFAOYSA-N
MW380.44 g/mol
LogP1.79
Rot. Bonds7

About 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 20899284) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID20899284
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C18H21FN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22)
InChIKeyMYSROGBSWUJHRM-UHFFFAOYSA-N
XLogP1.79
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 45106543
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
5-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109185666
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
2-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 109253062
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633
6-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115658
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 20899284) is 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is O=C(NCCN1CCOCC1)c1ccc(CS(=O)c2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is MYSROGBSWUJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c19-14-1-4-16(5-2-14)26(23)13-15-3-6-17(25-15)18(22)20-7-8-21-9-11-24-12-10-21/h1-6H,7-13H2,(H,20,22).
What are the key properties of 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 20899284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).