2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

C17H19N3O4S — CID 2971946

IUPAC2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19N3O4S/c1-13(21)15-4-3-5-16(10-15)20(25(2,23)24)12-17(22)19-11-14-6-8-18-9-7-14/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyYHBWBIZILQQXJU-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.37
Rot. Bonds7

About 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide

2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 2971946) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID2971946
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)c1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1
InChIInChI=1S/C17H19N3O4S/c1-13(21)15-4-3-5-16(10-15)20(25(2,23)24)12-17(22)19-11-14-6-8-18-9-7-14/h3-10H,11-12H2,1-2H3,(H,19,22)
InChIKeyYHBWBIZILQQXJU-UHFFFAOYSA-N
XLogP1.37
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281
2-(3-bromo-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2279634
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-[(2,4-dichlorophenyl)methyl]acetamide
CID 2983830
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
2-(3-acetyl-N-methylsulfonylanilino)-N-tert-butylacetamide
CID 3538765
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 3147408
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
3-(3-acetyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113145325
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 2222543

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide (CID 2971946) is 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is CC(=O)c1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is YHBWBIZILQQXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-13(21)15-4-3-5-16(10-15)20(25(2,23)24)12-17(22)19-11-14-6-8-18-9-7-14/h3-10H,11-12H2,1-2H3,(H,19,22).
What are the key properties of 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide?
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 2971946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).