N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide

C20H26N2O4S — CID 6736919

IUPACN-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H26N2O4S/c1-15-5-4-6-19(11-15)27(23,24)21-17-9-10-22(14-17)13-16-12-18(25-2)7-8-20(16)26-3/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3
InChIKeyAFISWNYLMHPVPP-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.57
Rot. Bonds7

About N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide

N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide (PubChem CID 6736919) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
PubChem CID6736919
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H26N2O4S/c1-15-5-4-6-19(11-15)27(23,24)21-17-9-10-22(14-17)13-16-12-18(25-2)7-8-20(16)26-3/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3
InChIKeyAFISWNYLMHPVPP-UHFFFAOYSA-N
XLogP2.57
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide 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

3-methyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 48946307
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 172891896
1-[(2,4-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63362955
N-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123995478
N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
3-chloro-N-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-4-methylbenzenesulfonamide
CID 6735551
N-(1-acetylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 47114532

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide (CID 6736919) is N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide is COc1ccc(OC)c(CN2CCC(NS(=O)(=O)c3cccc(C)c3)C2)c1.
What is the InChIKey of N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is AFISWNYLMHPVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15-5-4-6-19(11-15)27(23,24)21-17-9-10-22(14-17)13-16-12-18(25-2)7-8-20(16)26-3/h4-8,11-12,17,21H,9-10,13-14H2,1-3H3.
What are the key properties of N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide?
N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 6736919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).