[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium

C23H25N2OS+ — CID 9052568

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H24N2OS/c1-16-9-11-18(12-10-16)21(20-8-5-15-27-20)25-22(17-6-3-2-4-7-17)23(26)24-19-13-14-19/h2-12,15,19,21-22,25H,13-14H2,1H3,(H,24,26)/p+1/t21-,22-/m0/s1
InChIKeyAOBKZJGTBXDSRC-VXKWHMMOSA-O
MW377.53 g/mol
LogP3.73
Rot. Bonds7

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 9052568) has the molecular formula C23H25N2OS+ and a molecular weight of 377.53 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID9052568
Molecular FormulaC23H25N2OS+
Molecular Weight377.53 g/mol
Exact Mass377.17
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCc1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C23H24N2OS/c1-16-9-11-18(12-10-16)21(20-8-5-15-27-20)25-22(17-6-3-2-4-7-17)23(26)24-19-13-14-19/h2-12,15,19,21-22,25H,13-14H2,1H3,(H,24,26)/p+1/t21-,22-/m0/s1
InChIKeyAOBKZJGTBXDSRC-VXKWHMMOSA-O
XLogP3.73
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium with MolForge

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863202
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052405
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769307
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769303
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136258
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136254
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769465
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756137

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium (CID 9052568) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium is Cc1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)c2cccs2)cc1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is AOBKZJGTBXDSRC-VXKWHMMOSA-O. The full InChI is InChI=1S/C23H24N2OS/c1-16-9-11-18(12-10-16)21(20-8-5-15-27-20)25-22(17-6-3-2-4-7-17)23(26)24-19-13-14-19/h2-12,15,19,21-22,25H,13-14H2,1H3,(H,24,26)/p+1/t21-,22-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 377.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 9052568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).