N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide

C23H27N2O3S+ — CID 7164227

IUPACN-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-6-8-18(9-7-15)21(25-10-13-27-14-11-25)20-16(2)17(3)29-23(20)24-22(26)19-5-4-12-28-19/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,24,26)/p+1/t21-/m0/s1
InChIKeyLSKZGAAFJPREHM-NRFANRHFSA-O
MW411.55 g/mol
LogP3.52
Rot. Bonds5

About N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 7164227) has the molecular formula C23H27N2O3S+ and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID7164227
Molecular FormulaC23H27N2O3S+
Molecular Weight411.55 g/mol
Exact Mass411.17
IUPAC NameN-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)[NH+]2CCOCC2)cc1
InChIInChI=1S/C23H26N2O3S/c1-15-6-8-18(9-7-15)21(25-10-13-27-14-11-25)20-16(2)17(3)29-23(20)24-22(26)19-5-4-12-28-19/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,24,26)/p+1/t21-/m0/s1
InChIKeyLSKZGAAFJPREHM-NRFANRHFSA-O
XLogP3.52
TPSA55.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-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-[3-[(R)-(2-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 6973185
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
(2S,3R)-1-(furan-2-yl)-3-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)propan-1-one
CID 6973435
1-(furan-2-yl)-3-(4-methylphenyl)-2,3-di(morpholin-4-ium-4-yl)propan-1-one
CID 3447347
N-[4,5-dimethyl-3-(methylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 7520892
N-[4,5-dimethyl-3-[(R)-[(4-methyl-2-pyridinyl)amino]-(4-propan-2-ylphenyl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93480096
N-[3-[[(4,6-dimethylpyrimidin-2-yl)amino]-(4-propan-2-ylphenyl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 46740973
N-[3-[[4-(difluoromethoxy)phenyl]-(4-phenylpiperazin-1-yl)methyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4223092
N-[3-[[3-methoxy-4-(2-methylpropoxy)phenyl]-morpholin-4-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 4825625
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]furan-2-carboxamide
CID 46299802

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide (CID 7164227) is N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide is Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)[NH+]2CCOCC2)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is LSKZGAAFJPREHM-NRFANRHFSA-O. The full InChI is InChI=1S/C23H26N2O3S/c1-15-6-8-18(9-7-15)21(25-10-13-27-14-11-25)20-16(2)17(3)29-23(20)24-22(26)19-5-4-12-28-19/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,24,26)/p+1/t21-/m0/s1.
What are the key properties of N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-[(S)-(4-methylphenyl)-morpholin-4-ium-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 7164227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).