N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

C19H20N2O5S — CID 7286122

IUPACN-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O5S/c22-19(14-8-9-17-18(11-14)26-13-25-17)20-12-15-5-4-10-21(15)27(23,24)16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyPCMGKDUOGWEYMH-HNNXBMFYSA-N
MW388.45 g/mol
LogP2.00
Rot. Bonds5

About N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7286122) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID7286122
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O5S/c22-19(14-8-9-17-18(11-14)26-13-25-17)20-12-15-5-4-10-21(15)27(23,24)16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-13H2,(H,20,22)/t15-/m0/s1
InChIKeyPCMGKDUOGWEYMH-HNNXBMFYSA-N
XLogP2.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide 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-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-3,4-difluorobenzamide
CID 18574803
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide
CID 7234238
N'-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N-ethyloxamide
CID 7286107
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N-[2-(benzenesulfonamido)ethyl]-1,3-benzodioxole-5-carboxamide
CID 108574611
(2S)-1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide
CID 8018672
3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
ethyl 2-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methylamino]-2-oxoacetate
CID 7286054
N-[[(2R,4S,5S)-5-[(4-benzylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 40779692

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 7286122) is N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PCMGKDUOGWEYMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-19(14-8-9-17-18(11-14)26-13-25-17)20-12-15-5-4-10-21(15)27(23,24)16-6-2-1-3-7-16/h1-3,6-9,11,15H,4-5,10,12-13H2,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7286122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).