N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide

C17H20N2O2S — CID 100784920

IUPACN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide
SMILESCOc1cc(C)c(NC(=O)C(C)(C)Sc2ccccc2)cn1
InChIInChI=1S/C17H20N2O2S/c1-12-10-15(21-4)18-11-14(12)19-16(20)17(2,3)22-13-8-6-5-7-9-13/h5-11H,1-4H3,(H,19,20)
InChIKeyWWCJMWBMGNXQLN-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.91
Rot. Bonds5

About N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide

N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide (PubChem CID 100784920) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide
PubChem CID100784920
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide
SMILESCOc1cc(C)c(NC(=O)C(C)(C)Sc2ccccc2)cn1
InChIInChI=1S/C17H20N2O2S/c1-12-10-15(21-4)18-11-14(12)19-16(20)17(2,3)22-13-8-6-5-7-9-13/h5-11H,1-4H3,(H,19,20)
InChIKeyWWCJMWBMGNXQLN-UHFFFAOYSA-N
XLogP3.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide (CID 100784920) is N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide is COc1cc(C)c(NC(=O)C(C)(C)Sc2ccccc2)cn1.
What is the InChIKey of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide?
The InChIKey is WWCJMWBMGNXQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-10-15(21-4)18-11-14(12)19-16(20)17(2,3)22-13-8-6-5-7-9-13/h5-11H,1-4H3,(H,19,20).
What are the key properties of N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide?
N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-4-methyl-3-pyridinyl)-2-methyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 100784920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).