4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C22H26F3N3O4S — CID 55352591

IUPAC4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C22H26F3N3O4S/c1-32-20-7-3-2-6-18(20)19(28-12-4-5-13-28)14-27-33(30,31)17-10-8-16(9-11-17)21(29)26-15-22(23,24)25/h2-3,6-11,19,27H,4-5,12-15H2,1H3,(H,26,29)
InChIKeyGOVJOBRAOOMUMW-UHFFFAOYSA-N
MW485.53 g/mol
LogP3.10
Rot. Bonds9

About 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 55352591) has the molecular formula C22H26F3N3O4S and a molecular weight of 485.53 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID55352591
Molecular FormulaC22H26F3N3O4S
Molecular Weight485.53 g/mol
Exact Mass485.16
IUPAC Name4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C22H26F3N3O4S/c1-32-20-7-3-2-6-18(20)19(28-12-4-5-13-28)14-27-33(30,31)17-10-8-16(9-11-17)21(29)26-15-22(23,24)25/h2-3,6-11,19,27H,4-5,12-15H2,1H3,(H,26,29)
InChIKeyGOVJOBRAOOMUMW-UHFFFAOYSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
4-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55353830
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 25335595
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134025825
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 112504148
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 55352591) is 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is COc1ccccc1C(CNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GOVJOBRAOOMUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O4S/c1-32-20-7-3-2-6-18(20)19(28-12-4-5-13-28)14-27-33(30,31)17-10-8-16(9-11-17)21(29)26-15-22(23,24)25/h2-3,6-11,19,27H,4-5,12-15H2,1H3,(H,26,29).
What are the key properties of 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 485.53 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 55352591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).