(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide

C13H20N2O4S — CID 94173164

IUPAC(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N2O4S/c1-9(2)19-12-6-5-11(7-14-12)8-15-13(16)10(3)20(4,17)18/h5-7,9-10H,8H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyPOVZYFDQCYXBDX-JTQLQIEISA-N
MW300.38 g/mol
LogP0.92
Rot. Bonds6

About (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide

(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide (PubChem CID 94173164) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
PubChem CID94173164
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCC(C)Oc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn1
InChIInChI=1S/C13H20N2O4S/c1-9(2)19-12-6-5-11(7-14-12)8-15-13(16)10(3)20(4,17)18/h5-7,9-10H,8H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyPOVZYFDQCYXBDX-JTQLQIEISA-N
XLogP0.92
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55744571
(2S)-N-[(4-fluorophenyl)methyl]-2-methylsulfonylpropanamide
CID 51946192
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 47042880
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
1-(2,5-dichlorophenyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 55808925
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55785725
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
5-(bromomethyl)-2-propan-2-yloxypyridine
CID 130153198
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 51953041
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 51082730

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide (CID 94173164) is (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide is CC(C)Oc1ccc(CNC(=O)[C@H](C)S(C)(=O)=O)cn1.
What is the InChIKey of (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is POVZYFDQCYXBDX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(2)19-12-6-5-11(7-14-12)8-15-13(16)10(3)20(4,17)18/h5-7,9-10H,8H2,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 94173164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).