1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

C26H33N3O4S — CID 24982278

IUPAC1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C26H33N3O4S/c1-19(2)22-8-10-24(11-9-22)34(32,33)29-14-12-27(13-15-29)26(31)23-16-25(30)28(18-23)17-21-6-4-20(3)5-7-21/h4-11,19,23H,12-18H2,1-3H3
InChIKeyIINPVQKFFCRGMO-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.00
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one

1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 24982278) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID24982278
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C26H33N3O4S/c1-19(2)22-8-10-24(11-9-22)34(32,33)29-14-12-27(13-15-29)26(31)23-16-25(30)28(18-23)17-21-6-4-20(3)5-7-21/h4-11,19,23H,12-18H2,1-3H3
InChIKeyIINPVQKFFCRGMO-UHFFFAOYSA-N
XLogP3.00
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-Dihydro-isoindol-2-yl)-[1-(toluene-4-sulfonyl)-piperidin-4-yl]-methanone
CID 648766
1-Benzyl-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2998247
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 3242181
3-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 3968690
1-[4-(4-Cyclohexylphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 9298567
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-4-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]butane-1,4-dione;hydrochloride
CID 56659162
4-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-methylpyrrolidin-2-one
CID 134143813
N-benzyl-3-(dihexylamino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 156011090
N-benzyl-3-(dipentylamino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 156017840
2-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-1-(1,3-dihydroisoindol-2-yl)propan-1-one
CID 162644028
1-(4-methylphenyl)sulfonyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 16295142
4-[3-(4-benzyl-1-piperazinyl)-3-oxopropyl]-N-isobutylbenzenesulfonamide
CID 2951507

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one (CID 24982278) is 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(CN2CC(C(=O)N3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)CC2=O)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IINPVQKFFCRGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-19(2)22-8-10-24(11-9-22)34(32,33)29-14-12-27(13-15-29)26(31)23-16-25(30)28(18-23)17-21-6-4-20(3)5-7-21/h4-11,19,23H,12-18H2,1-3H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one?
1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 483.63 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 24982278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).