N-acetyl-2-tritylsulfanylacetamide

C23H21NO2S — CID 12837901

IUPACN-acetyl-2-tritylsulfanylacetamide
SMILESCC(=O)NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2S/c1-18(25)24-22(26)17-27-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,24,25,26)
InChIKeyQYEQUKYPXIXULQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.37
Rot. Bonds6

About N-acetyl-2-tritylsulfanylacetamide

N-acetyl-2-tritylsulfanylacetamide (PubChem CID 12837901) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-acetyl-2-tritylsulfanylacetamide.

Molecular Properties

Compound NameN-acetyl-2-tritylsulfanylacetamide
PubChem CID12837901
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC NameN-acetyl-2-tritylsulfanylacetamide
SMILESCC(=O)NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2S/c1-18(25)24-22(26)17-27-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,24,25,26)
InChIKeyQYEQUKYPXIXULQ-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(2-acetamido-2-oxoethyl) benzenecarbothioate
CID 12837857
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
(2E)-2-methoxyimino-3-tritylsulfanylpropanoic acid
CID 118021485
tert-butyl N-(3-tritylsulfanylpropanoyl)carbamate
CID 67752238
1-(4-bromophenyl)-2-tritylsulfanylethanone
CID 4063241
2-methylsulfanyl-N'-tritylacetohydrazide
CID 19429994
2-methylpropyl 2-acetamido-3-tritylsulfanylpropanoate
CID 167031344
N-[(Z)-2-tritylsulfanylethenyl]acetamide
CID 12620558
2-oxo-2-(2-tritylsulfanylethylamino)acetic acid
CID 11143657
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-(2-sulfanylethyl)-2-(2-tritylsulfanylethylamino)acetamide
CID 89114679
ethyl 2-methoxyimino-3-tritylsulfanylpropanoate
CID 118021802

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-tritylsulfanylacetamide?
The IUPAC name of N-acetyl-2-tritylsulfanylacetamide (CID 12837901) is N-acetyl-2-tritylsulfanylacetamide.
What is the SMILES notation for N-acetyl-2-tritylsulfanylacetamide?
The canonical SMILES for N-acetyl-2-tritylsulfanylacetamide is CC(=O)NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-acetyl-2-tritylsulfanylacetamide?
The InChIKey is QYEQUKYPXIXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-18(25)24-22(26)17-27-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,24,25,26).
What are the key properties of N-acetyl-2-tritylsulfanylacetamide?
N-acetyl-2-tritylsulfanylacetamide has a molecular weight of 375.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-tritylsulfanylacetamide is sourced from PubChem (CID 12837901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).