methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

C20H23N2OS+ — CID 9434038

IUPACmethyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESCc1ccsc1C[NH+](C)[C@@H](C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14-11-12-24-19(14)13-22(3)15(2)20(23)21-18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15H,13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyKUWDUDXESHCBNA-HNNXBMFYSA-O
MW339.48 g/mol
LogP3.25
Rot. Bonds5

About methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium

methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (PubChem CID 9434038) has the molecular formula C20H23N2OS+ and a molecular weight of 339.48 g/mol. Its IUPAC name is methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
PubChem CID9434038
Molecular FormulaC20H23N2OS+
Molecular Weight339.48 g/mol
Exact Mass339.15
IUPAC Namemethyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
SMILESCc1ccsc1C[NH+](C)[C@@H](C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H22N2OS/c1-14-11-12-24-19(14)13-22(3)15(2)20(23)21-18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15H,13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1
InChIKeyKUWDUDXESHCBNA-HNNXBMFYSA-O
XLogP3.25
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium with MolForge

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Related Compounds

methyl-[(3-methylthiophen-2-yl)methyl]-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9265037
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9433876
(4,5-dimethoxy-2-methylphenyl)methyl-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8551611
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434088
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 8767300
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium
CID 8804430
methyl-[(2-morpholin-4-ylphenyl)methyl]-[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9327696
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
methyl-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(3-methylthiophen-2-yl)methyl]azanium
CID 9434176
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516915
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783

Frequently Asked Questions

What is the IUPAC name of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium (CID 9434038) is methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
The InChIKey is KUWDUDXESHCBNA-HNNXBMFYSA-O. The full InChI is InChI=1S/C20H22N2OS/c1-14-11-12-24-19(14)13-22(3)15(2)20(23)21-18-10-6-8-16-7-4-5-9-17(16)18/h4-12,15H,13H2,1-3H3,(H,21,23)/p+1/t15-/m0/s1.
What are the key properties of methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium?
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium has a molecular weight of 339.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 9434038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).