2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide

C22H28N2O4S — CID 132947517

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC(CC(C)C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-16(2)13-21(18-9-6-5-7-10-18)23-22(26)15-24(29(4,27)28)20-12-8-11-19(14-20)17(3)25/h5-12,14,16,21H,13,15H2,1-4H3,(H,23,26)
InChIKeyDKYJNEVBPJQQQT-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.56
Rot. Bonds9

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide (PubChem CID 132947517) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
PubChem CID132947517
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NC(CC(C)C)c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C22H28N2O4S/c1-16(2)13-21(18-9-6-5-7-10-18)23-22(26)15-24(29(4,27)28)20-12-8-11-19(14-20)17(3)25/h5-12,14,16,21H,13,15H2,1-4H3,(H,23,26)
InChIKeyDKYJNEVBPJQQQT-UHFFFAOYSA-N
XLogP3.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30380028
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(N-methylsulfonylanilino)acetamide
CID 92673488
N-[(1S)-3-methyl-1-phenylbutyl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92674290
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 46778633
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 94027893
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567894
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 30304078
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 38018458
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 28635768

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide (CID 132947517) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide is CC(=O)c1cccc(N(CC(=O)NC(CC(C)C)c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
The InChIKey is DKYJNEVBPJQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16(2)13-21(18-9-6-5-7-10-18)23-22(26)15-24(29(4,27)28)20-12-8-11-19(14-20)17(3)25/h5-12,14,16,21H,13,15H2,1-4H3,(H,23,26).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide has a molecular weight of 416.54 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide is sourced from PubChem (CID 132947517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).