2-benzylsulfonyl-N-(2-phenylethyl)benzamide

C22H21NO3S — CID 5297896

IUPAC2-benzylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C22H21NO3S/c24-22(23-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)27(25,26)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,23,24)
InChIKeyLUOGZUJOIOYSGA-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.63
Rot. Bonds7

About 2-benzylsulfonyl-N-(2-phenylethyl)benzamide

2-benzylsulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 5297896) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(2-phenylethyl)benzamide
PubChem CID5297896
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name2-benzylsulfonyl-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccccc1S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C22H21NO3S/c24-22(23-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)27(25,26)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,23,24)
InChIKeyLUOGZUJOIOYSGA-UHFFFAOYSA-N
XLogP3.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 52630971
2-benzylsulfonylbenzoic acid
CID 561426
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
[2-(2-phenylethylcarbamoyl)phenyl]carbamothioic S-acid
CID 155166285
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-benzylsulfonyl-N-(2-phenylethyl)benzamide (CID 5297896) is 2-benzylsulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-benzylsulfonyl-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccccc1S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is LUOGZUJOIOYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c24-22(23-16-15-18-9-3-1-4-10-18)20-13-7-8-14-21(20)27(25,26)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,23,24).
What are the key properties of 2-benzylsulfonyl-N-(2-phenylethyl)benzamide?
2-benzylsulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 379.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 5297896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).