N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide

C23H23NO4S — CID 42945823

IUPACN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-17(18-11-15-22(16-12-18)29(3,26)27)24(2)23(25)19-9-13-21(14-10-19)28-20-7-5-4-6-8-20/h4-17H,1-3H3
InChIKeyZSPKDLIZARBLIZ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.72
Rot. Bonds6

About N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide (PubChem CID 42945823) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
PubChem CID42945823
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC NameN-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide
SMILESCC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H23NO4S/c1-17(18-11-15-22(16-12-18)29(3,26)27)24(2)23(25)19-9-13-21(14-10-19)28-20-7-5-4-6-8-20/h4-17H,1-3H3
InChIKeyZSPKDLIZARBLIZ-UHFFFAOYSA-N
XLogP4.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-methylsulfonylbenzamide
CID 47023702
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
N-methyl-4-phenoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 55383558
3-benzyl-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 134040552
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 55561483
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
4-(cyclopropylsulfamoyl)-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 26010203
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide?
The IUPAC name of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide (CID 42945823) is N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide?
The canonical SMILES for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide is CC(c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide?
The InChIKey is ZSPKDLIZARBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-17(18-11-15-22(16-12-18)29(3,26)27)24(2)23(25)19-9-13-21(14-10-19)28-20-7-5-4-6-8-20/h4-17H,1-3H3.
What are the key properties of N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide?
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenoxybenzamide is sourced from PubChem (CID 42945823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).