5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide

C19H25N2O2S+ — CID 2510659

IUPAC5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)s1
InChIInChI=1S/C19H24N2O2S/c1-14-8-9-17(24-14)19(22)20-15(2)18(16-6-4-3-5-7-16)21-10-12-23-13-11-21/h3-9,15,18H,10-13H2,1-2H3,(H,20,22)/p+1/t15-,18+/m1/s1
InChIKeyGNJCIERADMBOGR-QAPCUYQASA-O
MW345.49 g/mol
LogP1.83
Rot. Bonds5

About 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide

5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 2510659) has the molecular formula C19H25N2O2S+ and a molecular weight of 345.49 g/mol. Its IUPAC name is 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID2510659
Molecular FormulaC19H25N2O2S+
Molecular Weight345.49 g/mol
Exact Mass345.16
IUPAC Name5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)s1
InChIInChI=1S/C19H24N2O2S/c1-14-8-9-17(24-14)19(22)20-15(2)18(16-6-4-3-5-7-16)21-10-12-23-13-11-21/h3-9,15,18H,10-13H2,1-2H3,(H,20,22)/p+1/t15-,18+/m1/s1
InChIKeyGNJCIERADMBOGR-QAPCUYQASA-O
XLogP1.83
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510663
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
1-(4-fluorophenyl)-3-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]urea
CID 2326049
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 2510636
ethyl 1-[2-[[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772993
2-(4-methylpiperidin-1-ium-1-yl)-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8558211
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylpropanethioamide
CID 2326065
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]azanium
CID 8637239

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide (CID 2510659) is 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+]2CCOCC2)s1.
What is the InChIKey of 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is GNJCIERADMBOGR-QAPCUYQASA-O. The full InChI is InChI=1S/C19H24N2O2S/c1-14-8-9-17(24-14)19(22)20-15(2)18(16-6-4-3-5-7-16)21-10-12-23-13-11-21/h3-9,15,18H,10-13H2,1-2H3,(H,20,22)/p+1/t15-,18+/m1/s1.
What are the key properties of 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide?
5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2510659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).