2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

C15H22N2O4S — CID 3917136

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)9-16-15(19)10-17(22(4,20)21)14-7-5-6-13(8-14)12(3)18/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyDWUJOZRZFUFXSP-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.43
Rot. Bonds7

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 3917136) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
PubChem CID3917136
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H22N2O4S/c1-11(2)9-16-15(19)10-17(22(4,20)21)14-7-5-6-13(8-14)12(3)18/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyDWUJOZRZFUFXSP-UHFFFAOYSA-N
XLogP1.43
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-methyl-1-phenylbutyl)acetamide
CID 132947517
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
(2S)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-benzylamino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100739706
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543
(2R)-2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125071870
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43904897
2-(3-acetyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494041
2-[[2-(3-acetyl-N-methylsulfonylanilino)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132726991

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide (CID 3917136) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide is CC(=O)c1cccc(N(CC(=O)NCC(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is DWUJOZRZFUFXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(2)9-16-15(19)10-17(22(4,20)21)14-7-5-6-13(8-14)12(3)18/h5-8,11H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 1.43, 7 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 3917136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).