N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

C17H19FN2O2S — CID 47081662

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H19FN2O2S/c18-14-4-1-3-13(11-14)15(20-6-8-22-9-7-20)12-19-17(21)16-5-2-10-23-16/h1-5,10-11,15H,6-9,12H2,(H,19,21)
InChIKeyDURAQQMVNYYBHQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (PubChem CID 47081662) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
PubChem CID47081662
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)c1cccs1
InChIInChI=1S/C17H19FN2O2S/c18-14-4-1-3-13(11-14)15(20-6-8-22-9-7-20)12-19-17(21)16-5-2-10-23-16/h1-5,10-11,15H,6-9,12H2,(H,19,21)
InChIKeyDURAQQMVNYYBHQ-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 7285718
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1H-indazole-3-carboxamide
CID 60593064
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081658
N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 52507194
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylprop-2-enyl)urea
CID 99702436
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 92693436
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
3-ethylsulfanyl-N-[(2R)-2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 94815665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide (CID 47081662) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is O=C(NCC(c1cccc(F)c1)N1CCOCC1)c1cccs1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
The InChIKey is DURAQQMVNYYBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-4-1-3-13(11-14)15(20-6-8-22-9-7-20)12-19-17(21)16-5-2-10-23-16/h1-5,10-11,15H,6-9,12H2,(H,19,21).
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47081662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).