(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one

C15H22N2O5S2 — CID 52864052

IUPAC(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O5S2/c1-10(2)17-9-11(7-15(17)18)16-13-6-5-12(23(3,19)20)8-14(13)24(4,21)22/h5-6,8,10-11,16H,7,9H2,1-4H3/t11-/m1/s1
InChIKeyDAHFNPXQWYMMOR-LLVKDONJSA-N
MW374.48 g/mol
LogP0.91
Rot. Bonds5

About (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one

(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 52864052) has the molecular formula C15H22N2O5S2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one
PubChem CID52864052
Molecular FormulaC15H22N2O5S2
Molecular Weight374.48 g/mol
Exact Mass374.10
IUPAC Name(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1=O
InChIInChI=1S/C15H22N2O5S2/c1-10(2)17-9-11(7-15(17)18)16-13-6-5-12(23(3,19)20)8-14(13)24(4,21)22/h5-6,8,10-11,16H,7,9H2,1-4H3/t11-/m1/s1
InChIKeyDAHFNPXQWYMMOR-LLVKDONJSA-N
XLogP0.91
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one (CID 52864052) is (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@H](Nc2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1=O.
What is the InChIKey of (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is DAHFNPXQWYMMOR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O5S2/c1-10(2)17-9-11(7-15(17)18)16-13-6-5-12(23(3,19)20)8-14(13)24(4,21)22/h5-6,8,10-11,16H,7,9H2,1-4H3/t11-/m1/s1.
What are the key properties of (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one?
(4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 374.48 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2,4-bis(methylsulfonyl)anilino]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 52864052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).