N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide

C21H20N2O2S — CID 67640608

IUPACN-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)S(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-17(24)23(16-20-14-8-9-15-22-20)26(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3
InChIKeyRWOGQMCTPJQKOO-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.88
Rot. Bonds6

About N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide

N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 67640608) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID67640608
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccn1)S(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2S/c1-17(24)23(16-20-14-8-9-15-22-20)26(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3
InChIKeyRWOGQMCTPJQKOO-UHFFFAOYSA-N
XLogP3.88
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
acetic acid;2-ethylpyridine
CID 70072313
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
2-(pyridin-2-ylmethylsulfinyl)propanoic acid
CID 60982235
acetic acid;2-(chloromethyl)pyridine
CID 174751578
acetic acid;pyridin-2-ylmethanethiol
CID 20560339
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide (CID 67640608) is N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide is CC(=O)N(Cc1ccccn1)S(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RWOGQMCTPJQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-17(24)23(16-20-14-8-9-15-22-20)26(25)21(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,21H,16H2,1H3.
What are the key properties of N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide?
N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylsulfinyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 67640608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).