3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

C24H26N2O4S — CID 67398416

IUPAC3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCc1cc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C24H26N2O4S/c1-14-12-16(4-10-22(14)31(29,30)18-6-7-18)20(13-17-5-11-23(27)25-17)21-9-8-19(15-2-3-15)24(28)26-21/h4,8-10,12-13,15,17-18H,2-3,5-7,11H2,1H3,(H,25,27)(H,26,28)/t17-/m1/s1
InChIKeyPUBGEJSBOXRMRS-QGZVFWFLSA-N
MW438.55 g/mol
LogP3.21
Rot. Bonds6

About 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one

3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (PubChem CID 67398416) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
PubChem CID67398416
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
SMILESCc1cc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1S(=O)(=O)C1CC1
InChIInChI=1S/C24H26N2O4S/c1-14-12-16(4-10-22(14)31(29,30)18-6-7-18)20(13-17-5-11-23(27)25-17)21-9-8-19(15-2-3-15)24(28)26-21/h4,8-10,12-13,15,17-18H,2-3,5-7,11H2,1H3,(H,25,27)(H,26,28)/t17-/m1/s1
InChIKeyPUBGEJSBOXRMRS-QGZVFWFLSA-N
XLogP3.21
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-6-[1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400339
3-cyclopropyl-6-[(E)-1-(3-methoxy-4-methylsulfonylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452371
3-cyclopropyl-6-[(E)-1-(4-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452244
3-cyclopropyl-6-[(Z)-1-(3,4-difluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67399056
3-cyclopropyl-6-[(E)-1-[4-(difluoromethyl)-3-fluorophenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 53245893
3-cyclopropyl-6-[1-(4-ethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 67400265
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-1H-pyridin-2-one
CID 67398857
6-[1-(3-chloro-4-fluorophenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400809
3-cyclopropyl-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-pyridin-4-ylethenyl]-1H-pyridin-2-one
CID 67398478
6-[1-[3-chloro-4-(difluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400445
6-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-3-cyclopropyl-1H-pyridin-2-one
CID 67400078
3-cyclopropyl-6-[(E)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one
CID 58452327

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one (CID 67398416) is 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is Cc1cc(C(=C[C@H]2CCC(=O)N2)c2ccc(C3CC3)c(=O)[nH]2)ccc1S(=O)(=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
The InChIKey is PUBGEJSBOXRMRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-14-12-16(4-10-22(14)31(29,30)18-6-7-18)20(13-17-5-11-23(27)25-17)21-9-8-19(15-2-3-15)24(28)26-21/h4,8-10,12-13,15,17-18H,2-3,5-7,11H2,1H3,(H,25,27)(H,26,28)/t17-/m1/s1.
What are the key properties of 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one?
3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one has a molecular weight of 438.55 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[1-(4-cyclopropylsulfonyl-3-methylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67398416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).