N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide

C24H27N3O6S — CID 29034004

IUPACN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N3O6S/c28-23-14-18(16-27(23)19-6-9-21-22(15-19)33-13-12-32-21)25-24(29)17-4-7-20(8-5-17)34(30,31)26-10-2-1-3-11-26/h4-9,15,18H,1-3,10-14,16H2,(H,25,29)/t18-/m1/s1
InChIKeyAGMTWLQUHMMHDH-GOSISDBHSA-N
MW485.56 g/mol
LogP2.17
Rot. Bonds5

About N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide

N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 29034004) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID29034004
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC NameN-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N3O6S/c28-23-14-18(16-27(23)19-6-9-21-22(15-19)33-13-12-32-21)25-24(29)17-4-7-20(8-5-17)34(30,31)26-10-2-1-3-11-26/h4-9,15,18H,1-3,10-14,16H2,(H,25,29)/t18-/m1/s1
InChIKeyAGMTWLQUHMMHDH-GOSISDBHSA-N
XLogP2.17
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 26562647
4-(diethylsulfamoyl)-N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 40784148
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564030
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 41236330
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 40775151
N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 40775122
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3,5-dimethoxybenzamide
CID 16822345
1-cycloheptyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]urea
CID 18564547
3-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822351
N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-3-methylbenzamide
CID 7564037
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 43971265
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26919598

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide (CID 29034004) is N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide is O=C(N[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is AGMTWLQUHMMHDH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O6S/c28-23-14-18(16-27(23)19-6-9-21-22(15-19)33-13-12-32-21)25-24(29)17-4-7-20(8-5-17)34(30,31)26-10-2-1-3-11-26/h4-9,15,18H,1-3,10-14,16H2,(H,25,29)/t18-/m1/s1.
What are the key properties of N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide?
N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 485.56 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 29034004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).