N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide

C18H22N2O2S — CID 135073785

IUPACN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(C(C)C(=O)N=S(C)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)15-8-10-16(11-9-15)14(3)18(21)20-23(4,22)17-7-5-6-12-19-17/h5-14H,1-4H3
InChIKeyBASWECDZTAUEQM-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.99
Rot. Bonds4

About N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide

N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide (PubChem CID 135073785) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide
PubChem CID135073785
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(C(C)C(=O)N=S(C)(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)15-8-10-16(11-9-15)14(3)18(21)20-23(4,22)17-7-5-6-12-19-17/h5-14H,1-4H3
InChIKeyBASWECDZTAUEQM-UHFFFAOYSA-N
XLogP3.99
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide (CID 135073785) is N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(C(C)C(=O)N=S(C)(=O)c2ccccn2)cc1.
What is the InChIKey of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide?
The InChIKey is BASWECDZTAUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)15-8-10-16(11-9-15)14(3)18(21)20-23(4,22)17-7-5-6-12-19-17/h5-14H,1-4H3.
What are the key properties of N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide?
N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide has a molecular weight of 330.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-pyridin-2-yl-λ6-sulfanylidene)-2-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 135073785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).