N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide

C21H19NO4S — CID 47087047

IUPACN-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
SMILESCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H19NO4S/c1-22(21(23)16-9-8-12-18(15-16)27(2,24)25)19-13-6-7-14-20(19)26-17-10-4-3-5-11-17/h3-15H,1-2H3
InChIKeyGGZGYPICAHGOTD-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.16
Rot. Bonds5

About N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide

N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide (PubChem CID 47087047) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
PubChem CID47087047
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC NameN-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
SMILESCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C21H19NO4S/c1-22(21(23)16-9-8-12-18(15-16)27(2,24)25)19-13-6-7-14-20(19)26-17-10-4-3-5-11-17/h3-15H,1-2H3
InChIKeyGGZGYPICAHGOTD-UHFFFAOYSA-N
XLogP4.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide (CID 47087047) is N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide is CN(C(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide?
The InChIKey is GGZGYPICAHGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c1-22(21(23)16-9-8-12-18(15-16)27(2,24)25)19-13-6-7-14-20(19)26-17-10-4-3-5-11-17/h3-15H,1-2H3.
What are the key properties of N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide?
N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide has a molecular weight of 381.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 47087047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).