N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide

C21H26N2O3S — CID 75619770

IUPACN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)C=Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O3S/c1-26-21-12-6-5-11-19(21)20(23-14-7-8-15-23)17-22-27(24,25)16-13-18-9-3-2-4-10-18/h2-6,9-13,16,20,22H,7-8,14-15,17H2,1H3
InChIKeyRBZMYONSLYKUIK-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.42
Rot. Bonds8

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide (PubChem CID 75619770) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide
PubChem CID75619770
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)C=Cc1ccccc1)N1CCCC1
InChIInChI=1S/C21H26N2O3S/c1-26-21-12-6-5-11-19(21)20(23-14-7-8-15-23)17-22-27(24,25)16-13-18-9-3-2-4-10-18/h2-6,9-13,16,20,22H,7-8,14-15,17H2,1H3
InChIKeyRBZMYONSLYKUIK-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]ethenesulfonamide
CID 76863114
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 134017257
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 52516756
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55352591
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide (CID 75619770) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide is COc1ccccc1C(CNS(=O)(=O)C=Cc1ccccc1)N1CCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide?
The InChIKey is RBZMYONSLYKUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-26-21-12-6-5-11-19(21)20(23-14-7-8-15-23)17-22-27(24,25)16-13-18-9-3-2-4-10-18/h2-6,9-13,16,20,22H,7-8,14-15,17H2,1H3.
What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide?
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 75619770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).