3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one

C15H19NO4S — CID 134867147

IUPAC3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C15H19NO4S/c1-10(2)15-13(20-4)9-14(17)16(15)21(18,19)12-7-5-11(3)6-8-12/h5-10,15H,1-4H3
InChIKeyWMTYDAXSLZMFAU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.08
Rot. Bonds4

About 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one

3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one (PubChem CID 134867147) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one
PubChem CID134867147
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one
SMILESCOC1=CC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
InChIInChI=1S/C15H19NO4S/c1-10(2)15-13(20-4)9-14(17)16(15)21(18,19)12-7-5-11(3)6-8-12/h5-10,15H,1-4H3
InChIKeyWMTYDAXSLZMFAU-UHFFFAOYSA-N
XLogP2.08
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one (CID 134867147) is 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one is COC1=CC(=O)N(S(=O)(=O)c2ccc(C)cc2)C1C(C)C.
What is the InChIKey of 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is WMTYDAXSLZMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-10(2)15-13(20-4)9-14(17)16(15)21(18,19)12-7-5-11(3)6-8-12/h5-10,15H,1-4H3.
What are the key properties of 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one?
3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 309.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methylphenyl)sulfonyl-2-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 134867147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).