1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C20H29N3O4S — CID 2466148

IUPAC1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-3-16(2)17-6-8-18(9-7-17)28(26,27)23-13-11-21(12-14-23)20(25)15-22-10-4-5-19(22)24/h6-9,16H,3-5,10-15H2,1-2H3/t16-/m1/s1
InChIKeyKMHZIRKUVRQFMO-MRXNPFEDSA-N
MW407.54 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 2466148) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID2466148
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C20H29N3O4S/c1-3-16(2)17-6-8-18(9-7-17)28(26,27)23-13-11-21(12-14-23)20(25)15-22-10-4-5-19(22)24/h6-9,16H,3-5,10-15H2,1-2H3/t16-/m1/s1
InChIKeyKMHZIRKUVRQFMO-MRXNPFEDSA-N
XLogP1.66
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119684565
4-amino-1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-3-methoxybutan-1-one;hydrochloride
CID 120586981
1-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-[(1R)-cyclopent-2-en-1-yl]ethanone
CID 9155292
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4883653

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 2466148) is 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is KMHZIRKUVRQFMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-3-16(2)17-6-8-18(9-7-17)28(26,27)23-13-11-21(12-14-23)20(25)15-22-10-4-5-19(22)24/h6-9,16H,3-5,10-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 407.54 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 2466148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).