N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide

C14H15N3O2S — CID 134311099

IUPACN-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(NS)c2)cn(C)c1=O
InChIInChI=1S/C14H15N3O2S/c1-9(18)15-13-7-11(8-17(2)14(13)19)10-4-3-5-12(6-10)16-20/h3-8,16,20H,1-2H3,(H,15,18)
InChIKeyWSCLULYJEXAAIC-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.27
Rot. Bonds3

About N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide

N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide (PubChem CID 134311099) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide
PubChem CID134311099
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(NS)c2)cn(C)c1=O
InChIInChI=1S/C14H15N3O2S/c1-9(18)15-13-7-11(8-17(2)14(13)19)10-4-3-5-12(6-10)16-20/h3-8,16,20H,1-2H3,(H,15,18)
InChIKeyWSCLULYJEXAAIC-UHFFFAOYSA-N
XLogP2.27
TPSA63.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide (CID 134311099) is N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cccc(NS)c2)cn(C)c1=O.
What is the InChIKey of N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide?
The InChIKey is WSCLULYJEXAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(18)15-13-7-11(8-17(2)14(13)19)10-4-3-5-12(6-10)16-20/h3-8,16,20H,1-2H3,(H,15,18).
What are the key properties of N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide?
N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-oxo-5-[3-(sulfanylamino)phenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 134311099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).