2-oxo-2-(2-tritylsulfanylethylamino)acetic acid

C23H21NO3S — CID 11143657

IUPAC2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
SMILESO=C(O)C(=O)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3S/c25-21(22(26)27)24-16-17-28-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25)(H,26,27)
InChIKeyJCIFTJBKJSWCDL-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.91
Rot. Bonds7

About 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid

2-oxo-2-(2-tritylsulfanylethylamino)acetic acid (PubChem CID 11143657) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
PubChem CID11143657
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
SMILESO=C(O)C(=O)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO3S/c25-21(22(26)27)24-16-17-28-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25)(H,26,27)
InChIKeyJCIFTJBKJSWCDL-UHFFFAOYSA-N
XLogP3.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid 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

2-(2-tritylsulfanylethylamino)acetamide
CID 140602369
N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
CID 89114679
2-oxo-2-[2-(trifluoromethylsulfanyl)ethylamino]acetic acid
CID 104767653
2-[2-(diethylamino)ethyl-(2-tritylsulfanylethyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 11828805
2-[bromomethyl(propyl)amino]-N-(2-tritylsulfanylethyl)acetamide
CID 89114615
1-(1-chloroethyl)-1-nitroso-3-(2-tritylsulfanylethyl)urea
CID 88655663
2-[[2-(chloromethyl)-4-tritylsulfanylbutyl]amino]-N-(2-tritylsulfanylethyl)acetamide
CID 68637331
methyl 3-[[2-oxo-2-(2-tritylsulfanylethylamino)ethyl]-(2-tritylsulfanylethyl)amino]propanoate
CID 10628965
1-hydroxy-6-tritylsulfanylhexan-2-one
CID 59179865
2-tritylsulfanylethanethiol
CID 59035458
1-methyl-3-[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-(2-tritylsulfanylethylcarbamoylamino)pentyl]carbamoylamino]propyl]carbamoylamino]propyl]carbamoylamino]pentyl]urea
CID 139050654
methyl 6-[[2-oxo-2-(2-tritylsulfanylethylamino)ethyl]-(2-tritylsulfanylethyl)amino]hexanoate
CID 70271339

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid?
The IUPAC name of 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid (CID 11143657) is 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid is O=C(O)C(=O)NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid?
The InChIKey is JCIFTJBKJSWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3S/c25-21(22(26)27)24-16-17-28-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,25)(H,26,27).
What are the key properties of 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid?
2-oxo-2-(2-tritylsulfanylethylamino)acetic acid has a molecular weight of 391.49 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-tritylsulfanylethylamino)acetic acid is sourced from PubChem (CID 11143657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).