N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

C22H24FN2O3S+ — CID 6973185

IUPACN-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2F)[NH+]2CCOCC2)c1C
InChIInChI=1S/C22H23FN2O3S/c1-14-15(2)29-22(24-21(26)18-8-5-11-28-18)19(14)20(25-9-12-27-13-10-25)16-6-3-4-7-17(16)23/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1
InChIKeyLZWMNJOGKGXSIA-HXUWFJFHSA-O
MW415.51 g/mol
LogP3.35
Rot. Bonds5

About N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 6973185) has the molecular formula C22H24FN2O3S+ and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
PubChem CID6973185
Molecular FormulaC22H24FN2O3S+
Molecular Weight415.51 g/mol
Exact Mass415.15
IUPAC NameN-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
SMILESCc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2F)[NH+]2CCOCC2)c1C
InChIInChI=1S/C22H23FN2O3S/c1-14-15(2)29-22(24-21(26)18-8-5-11-28-18)19(14)20(25-9-12-27-13-10-25)16-6-3-4-7-17(16)23/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1
InChIKeyLZWMNJOGKGXSIA-HXUWFJFHSA-O
XLogP3.35
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4,5-dimethyl-3-[(R)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 7164228
N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 7164227
N-[4,5-dimethyl-3-[(S)-morpholin-4-ium-4-yl(thiophen-2-yl)methyl]thiophen-2-yl]benzamide
CID 7784099
N-[4,5-dimethyl-3-[morpholin-4-yl(pyridin-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 3856176
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-(2-fluorophenyl)methyl]-5-ethylthiophen-2-yl]benzamide
CID 3461767
N-[3-[(R)-(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1416458
N-[3-[(4-fluorophenyl)-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4680052
N-[3-[[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4223092
N-[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 1206485
N-[3-[anilino-(2-fluorophenyl)methyl]-4,5-dimethylthiophen-2-yl]benzamide
CID 4702241
N-[3-[(R)-(2-chlorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 93480047

Frequently Asked Questions

What is the IUPAC name of N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide (CID 6973185) is N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2F)[NH+]2CCOCC2)c1C.
What is the InChIKey of N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is LZWMNJOGKGXSIA-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H23FN2O3S/c1-14-15(2)29-22(24-21(26)18-8-5-11-28-18)19(14)20(25-9-12-27-13-10-25)16-6-3-4-7-17(16)23/h3-8,11,20H,9-10,12-13H2,1-2H3,(H,24,26)/p+1/t20-/m1/s1.
What are the key properties of N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 6973185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).