(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone

C17H19NO2S — CID 58452801

IUPAC(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1nc(C(=O)c2ccc(SC)cc2)ccc1C(C)C
InChIInChI=1S/C17H19NO2S/c1-11(2)14-9-10-15(18-17(14)20-3)16(19)12-5-7-13(21-4)8-6-12/h5-11H,1-4H3
InChIKeyGANSBDIDELNWPO-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.17
Rot. Bonds5

About (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone

(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 58452801) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone
PubChem CID58452801
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone
SMILESCOc1nc(C(=O)c2ccc(SC)cc2)ccc1C(C)C
InChIInChI=1S/C17H19NO2S/c1-11(2)14-9-10-15(18-17(14)20-3)16(19)12-5-7-13(21-4)8-6-12/h5-11H,1-4H3
InChIKeyGANSBDIDELNWPO-UHFFFAOYSA-N
XLogP4.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one;1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 159934991
6-chloro-2-methoxy-3-propan-2-ylpyridine
CID 130325202
(5-chloro-6-methoxy-2-pyridinyl)-[4-(3-methylbutoxymethyl)phenyl]methanone
CID 58452738
3-chloro-6-[(E)-2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxypyridine
CID 67401232
(4-methoxy-3-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 79214841
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
6-[2-cyclopentyl-1-(4-methylsulfanylphenyl)ethenyl]-2-methoxy-3-methylpyridine
CID 67396351
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(5R)-5-[2-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-(4-methylsulfanylphenyl)ethenyl]pyrrolidin-2-one
CID 67400669

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone (CID 58452801) is (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone is COc1nc(C(=O)c2ccc(SC)cc2)ccc1C(C)C.
What is the InChIKey of (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is GANSBDIDELNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-11(2)14-9-10-15(18-17(14)20-3)16(19)12-5-7-13(21-4)8-6-12/h5-11H,1-4H3.
What are the key properties of (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone?
(6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 301.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-5-propan-2-yl-2-pyridinyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 58452801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).