N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide

C22H22N2O4S — CID 22304441

IUPACN-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2S(C)(=O)=O)c1
InChIInChI=1S/C22H22N2O4S/c1-16-7-6-8-17(13-16)24-22(25)15-23-20-12-11-19(14-21(20)29(2,26)27)28-18-9-4-3-5-10-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyOCRMRZIPDAKWDR-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.24
Rot. Bonds7

About N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide

N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 22304441) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID22304441
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2S(C)(=O)=O)c1
InChIInChI=1S/C22H22N2O4S/c1-16-7-6-8-17(13-16)24-22(25)15-23-20-12-11-19(14-21(20)29(2,26)27)28-18-9-4-3-5-10-18/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyOCRMRZIPDAKWDR-UHFFFAOYSA-N
XLogP4.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
2-(4-methoxy-2-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 22304612
2-(4-methoxy-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62872071
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
2-(3,4-dimethoxy-2-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 22304063
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
[2-(3-methylanilino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725213
N-[2-methyl-3-[[2-oxo-2-(4-phenoxyanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844689
N-(3-butan-2-yloxyphenyl)-2-(4-phenoxyanilino)acetamide
CID 54812451
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide (CID 22304441) is N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide is Cc1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is OCRMRZIPDAKWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-16-7-6-8-17(13-16)24-22(25)15-23-20-12-11-19(14-21(20)29(2,26)27)28-18-9-4-3-5-10-18/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide?
N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 410.50 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 22304441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).