2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide

C20H19N3O4S — CID 1139748

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-12-6-5-11-18(19)23(28(25,26)17-9-3-2-4-10-17)15-20(24)22-16-8-7-13-21-14-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyBPMJUFRZCARRJM-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.92
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide (PubChem CID 1139748) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide
PubChem CID1139748
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19N3O4S/c1-27-19-12-6-5-11-18(19)23(28(25,26)17-9-3-2-4-10-17)15-20(24)22-16-8-7-13-21-14-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyBPMJUFRZCARRJM-UHFFFAOYSA-N
XLogP2.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide (CID 1139748) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide is COc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide?
The InChIKey is BPMJUFRZCARRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-19-12-6-5-11-18(19)23(28(25,26)17-9-3-2-4-10-17)15-20(24)22-16-8-7-13-21-14-16/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide has a molecular weight of 397.46 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1139748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).