2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C17H20N4O4S — CID 113155724

IUPAC2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N4O4S/c1-13(22)20-14-7-5-8-16(10-14)21(26(2,24)25)12-17(23)19-11-15-6-3-4-9-18-15/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyAQMHVRNHCVQCHX-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.12
Rot. Bonds7

About 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 113155724) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID113155724
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(=O)Nc1cccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N4O4S/c1-13(22)20-14-7-5-8-16(10-14)21(26(2,24)25)12-17(23)19-11-15-6-3-4-9-18-15/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyAQMHVRNHCVQCHX-UHFFFAOYSA-N
XLogP1.12
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 784331
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)acetamide
CID 50944930
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 30265485
2-(4-ethoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 1118194
3-(3-methyl-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113141766
3-(3-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 113144597
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-2-ylmethyl)butanamide
CID 53286844
2-(3-acetyl-N-methylsulfonylanilino)-N-benzylacetamide
CID 5152281

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 113155724) is 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(=O)Nc1cccc(N(CC(=O)NCc2ccccn2)S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is AQMHVRNHCVQCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-13(22)20-14-7-5-8-16(10-14)21(26(2,24)25)12-17(23)19-11-15-6-3-4-9-18-15/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 113155724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).