N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C24H26N2O4S — CID 30268858

IUPACN-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-4-19-12-10-11-18(2)24(19)25-23(27)17-26(31(3,28)29)21-15-8-9-16-22(21)30-20-13-6-5-7-14-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyQGHQFMHHXJBDHI-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.75
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 30268858) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID30268858
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-4-19-12-10-11-18(2)24(19)25-23(27)17-26(31(3,28)29)21-15-8-9-16-22(21)30-20-13-6-5-7-14-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyQGHQFMHHXJBDHI-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate
CID 8508262
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(2-ethyl-6-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 9102660
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 30268858) is N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CCc1cccc(C)c1NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is QGHQFMHHXJBDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-19-12-10-11-18(2)24(19)25-23(27)17-26(31(3,28)29)21-15-8-9-16-22(21)30-20-13-6-5-7-14-20/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 438.55 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 30268858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).