N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide

C22H21NO2S — CID 11728197

IUPACN-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide
SMILESO=CN(CCS(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-18-23(16-17-26(25)21-14-8-3-9-15-21)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2
InChIKeyLGXNWACCRWZLOV-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.04
Rot. Bonds8

About N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide

N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide (PubChem CID 11728197) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide.

Molecular Properties

Compound NameN-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide
PubChem CID11728197
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide
SMILESO=CN(CCS(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2S/c24-18-23(16-17-26(25)21-14-8-3-9-15-21)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2
InChIKeyLGXNWACCRWZLOV-UHFFFAOYSA-N
XLogP4.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
N,N-dibenzyl-4-((4-fluorophenyl)sulfonyl)butanamide
CID 18585994
1-Methyl-2-phenyl-3,5-bis(phenylsulfonyl)-1,2,3,6-tetrahydropyridine
CID 45033829
(1R)-1-(2-benzylsulfinylphenyl)-N,N-dimethylethanamine
CID 15012625
3,5-Bis(benzenesulfonyl)-1-methyl-2-phenylpiperidine
CID 400850
2-(benzenesulfonyl)-N-benzhydrylacetamide
CID 2991466
2-Propenamide,1-dimethylethyl)-N-(phenylmethyl)-3-(phenylsulfinyl)-, (2Z)-
CID 5470812
4-(5,6-Dihydrobenzo[b][1]benzothiepin-5-yl)piperazine-1-carbaldehyde
CID 199778
1-(Diphenylmethyl)-3-{[(2-fluorophenyl)sulfonyl]methyl}azetidine
CID 21978365
1-Benzhydryl-3-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 21978375
1-Benzhydryl-3-fluoro-3-[(4-fluorophenyl)sulfonylmethyl]azetidine
CID 21978385
2-(benzenesulfonyl)-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]ethanone
CID 58641408

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide?
The IUPAC name of N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide (CID 11728197) is N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide.
What is the SMILES notation for N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide?
The canonical SMILES for N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide is O=CN(CCS(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide?
The InChIKey is LGXNWACCRWZLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c24-18-23(16-17-26(25)21-14-8-3-9-15-21)22(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-15,18,22H,16-17H2.
What are the key properties of N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide?
N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide has a molecular weight of 363.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfinyl)ethyl]-N-benzhydrylformamide is sourced from PubChem (CID 11728197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).