N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide

C17H19NO2S — CID 11522304

IUPACN,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide
SMILESCN(C)C(=O)CS(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(2)17(19)13-21(20)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyWTQBAJKELRPOCH-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.69
Rot. Bonds5

About N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide

N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide (PubChem CID 11522304) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide
PubChem CID11522304
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide
SMILESCN(C)C(=O)CS(=O)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO2S/c1-18(2)17(19)13-21(20)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3
InChIKeyWTQBAJKELRPOCH-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide (CID 11522304) is N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide is CN(C)C(=O)CS(=O)Cc1ccccc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide?
The InChIKey is WTQBAJKELRPOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18(2)17(19)13-21(20)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide?
N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide has a molecular weight of 301.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-phenylphenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 11522304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).