N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

C25H28N2O4S — CID 100608249

IUPACN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-25(2,18-20-12-6-4-7-13-20)26-24(28)19-27(32(3,29)30)22-16-10-11-17-23(22)31-21-14-8-5-9-15-21/h4-17H,18-19H2,1-3H3,(H,26,28)
InChIKeyQZLHUTGKDIGZRA-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.38
Rot. Bonds9

About N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide

N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (PubChem CID 100608249) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
PubChem CID100608249
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC NameN-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C25H28N2O4S/c1-25(2,18-20-12-6-4-7-13-20)26-24(28)19-27(32(3,29)30)22-16-10-11-17-23(22)31-21-14-8-5-9-15-21/h4-17H,18-19H2,1-3H3,(H,26,28)
InChIKeyQZLHUTGKDIGZRA-UHFFFAOYSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30255339
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676
N-(4-ethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30262141
N-[2-(dimethylamino)ethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30271957
N-(4-iodophenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43899457
2-[[2-(N-methylsulfonyl-2-phenoxyanilino)acetyl]amino]benzamide
CID 30276893
2-(N-methylsulfonyl-2-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 30271434
N-(2-ethylsulfanylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30275443
N-(2,4-dimethylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30258183
N-(2-ethyl-6-methylphenyl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30268858
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 100572286
N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30263050

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide (CID 100608249) is N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is CC(C)(Cc1ccccc1)NC(=O)CN(c1ccccc1Oc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
The InChIKey is QZLHUTGKDIGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-25(2,18-20-12-6-4-7-13-20)26-24(28)19-27(32(3,29)30)22-16-10-11-17-23(22)31-21-14-8-5-9-15-21/h4-17H,18-19H2,1-3H3,(H,26,28).
What are the key properties of N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide?
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide is sourced from PubChem (CID 100608249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).