2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide

C18H20N2O4S — CID 5152281

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-14(21)16-9-6-10-17(11-16)20(25(2,23)24)13-18(22)19-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyNPQUSPZIIQZQGV-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.97
Rot. Bonds7

About 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide (PubChem CID 5152281) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
PubChem CID5152281
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C18H20N2O4S/c1-14(21)16-9-6-10-17(11-16)20(25(2,23)24)13-18(22)19-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22)
InChIKeyNPQUSPZIIQZQGV-UHFFFAOYSA-N
XLogP1.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3917136
2-(3-acetyl-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2975957
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543
2-(3-acetyl-N-methylsulfonylanilino)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
2-(3-bromo-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2279634
N-benzyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156230

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide (CID 5152281) is 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide is CC(=O)c1cccc(N(CC(=O)NCc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide?
The InChIKey is NPQUSPZIIQZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-14(21)16-9-6-10-17(11-16)20(25(2,23)24)13-18(22)19-12-15-7-4-3-5-8-15/h3-11H,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide has a molecular weight of 360.44 g/mol, XLogP of 1.97, 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-benzylacetamide is sourced from PubChem (CID 5152281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).