[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

C21H23N2O2S+ — CID 9051308

IUPAC[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1
InChIKeyQJJVOICEACIJQI-YWZLYKJASA-O
MW367.49 g/mol
LogP3.44
Rot. Bonds7

About [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 9051308) has the molecular formula C21H23N2O2S+ and a molecular weight of 367.49 g/mol. Its IUPAC name is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID9051308
Molecular FormulaC21H23N2O2S+
Molecular Weight367.49 g/mol
Exact Mass367.15
IUPAC Name[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCOc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C21H22N2O2S/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1
InChIKeyQJJVOICEACIJQI-YWZLYKJASA-O
XLogP3.44
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051311
benzhydryl-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8545459
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050863
[(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050636
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391938
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391931
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8755577
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052114
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132433
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051205
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051374
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863202

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (CID 9051308) is [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is QJJVOICEACIJQI-YWZLYKJASA-O. The full InChI is InChI=1S/C21H22N2O2S/c1-15(21(24)23-17-11-6-7-12-18(17)25-2)22-20(19-13-8-14-26-19)16-9-4-3-5-10-16/h3-15,20,22H,1-2H3,(H,23,24)/p+1/t15-,20-/m0/s1.
What are the key properties of [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 367.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 9051308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).