[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

C22H25N2OS+ — CID 9051390

IUPAC[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)16-24(2)21(25)15-23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22-23H,15-16H2,1-2H3/p+1/t22-/m1/s1
InChIKeyXKOVFORUZSYQAA-JOCHJYFZSA-O
MW365.52 g/mol
LogP3.37
Rot. Bonds7

About [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 9051390) has the molecular formula C22H25N2OS+ and a molecular weight of 365.52 g/mol. Its IUPAC name is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID9051390
Molecular FormulaC22H25N2OS+
Molecular Weight365.52 g/mol
Exact Mass365.17
IUPAC Name[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)16-24(2)21(25)15-23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22-23H,15-16H2,1-2H3/p+1/t22-/m1/s1
InChIKeyXKOVFORUZSYQAA-JOCHJYFZSA-O
XLogP3.37
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052447
[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8866978
[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865544
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 8867151
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867514
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8868307
[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8639948
[2-(methoxycarbonylamino)-2-oxoethyl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868231
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46614583
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863996
[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864004
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865900

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium (CID 9051390) is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is Cc1ccc(CN(C)C(=O)C[NH2+][C@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is XKOVFORUZSYQAA-JOCHJYFZSA-O. The full InChI is InChI=1S/C22H24N2OS/c1-17-10-12-18(13-11-17)16-24(2)21(25)15-23-22(20-9-6-14-26-20)19-7-4-3-5-8-19/h3-14,22-23H,15-16H2,1-2H3/p+1/t22-/m1/s1.
What are the key properties of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium?
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 365.52 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 9051390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).