[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

C22H25N2OS+ — CID 8865900

IUPAC[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C22H24N2OS/c1-17-8-5-6-9-18(17)13-14-23-21(25)16-24-22(20-12-7-15-26-20)19-10-3-2-4-11-19/h2-12,15,22,24H,13-14,16H2,1H3,(H,23,25)/p+1/t22-/m0/s1
InChIKeyYZHGRHHKYXXVOF-QFIPXVFZSA-O
MW365.52 g/mol
LogP3.07
Rot. Bonds8

About [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 8865900) has the molecular formula C22H25N2OS+ and a molecular weight of 365.52 g/mol. Its IUPAC name is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID8865900
Molecular FormulaC22H25N2OS+
Molecular Weight365.52 g/mol
Exact Mass365.17
IUPAC Name[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cccs1
InChIInChI=1S/C22H24N2OS/c1-17-8-5-6-9-18(17)13-14-23-21(25)16-24-22(20-12-7-15-26-20)19-10-3-2-4-11-19/h2-12,15,22,24H,13-14,16H2,1H3,(H,23,25)/p+1/t22-/m0/s1
InChIKeyYZHGRHHKYXXVOF-QFIPXVFZSA-O
XLogP3.07
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]azanium
CID 8867151
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862534
[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8865511
tert-butyl-[3-[[2-[[(S)-phenyl(thiophen-2-yl)methyl]azaniumyl]acetyl]amino]propyl]azanium
CID 8865704
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9050445
[2-(2-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051415
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8864787
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862238
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8862202
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867098
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866542
[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8869201

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (CID 8865900) is [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is Cc1ccccc1CCNC(=O)C[NH2+][C@@H](c1ccccc1)c1cccs1.
What is the InChIKey of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is YZHGRHHKYXXVOF-QFIPXVFZSA-O. The full InChI is InChI=1S/C22H24N2OS/c1-17-8-5-6-9-18(17)13-14-23-21(25)16-24-22(20-12-7-15-26-20)19-10-3-2-4-11-19/h2-12,15,22,24H,13-14,16H2,1H3,(H,23,25)/p+1/t22-/m0/s1.
What are the key properties of [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 365.52 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8865900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).