3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C23H24FN3O3S2 — CID 24640460

IUPAC3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O3S2/c24-19-9-1-2-10-20(19)26-32(29,30)18-8-5-7-17(15-18)23(28)25-16-21(22-11-6-14-31-22)27-12-3-4-13-27/h1-2,5-11,14-15,21,26H,3-4,12-13,16H2,(H,25,28)
InChIKeyYAJDQLUCXLKPQY-UHFFFAOYSA-N
MW473.60 g/mol
LogP4.25
Rot. Bonds8

About 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 24640460) has the molecular formula C23H24FN3O3S2 and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID24640460
Molecular FormulaC23H24FN3O3S2
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Name3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O3S2/c24-19-9-1-2-10-20(19)26-32(29,30)18-8-5-7-17(15-18)23(28)25-16-21(22-11-6-14-31-22)27-12-3-4-13-27/h1-2,5-11,14-15,21,26H,3-4,12-13,16H2,(H,25,28)
InChIKeyYAJDQLUCXLKPQY-UHFFFAOYSA-N
XLogP4.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765111
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 4113188
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765094
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-(benzylsulfamoyl)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2315122
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
3-(ethylsulfamoyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55462512

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 24640460) is 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is YAJDQLUCXLKPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S2/c24-19-9-1-2-10-20(19)26-32(29,30)18-8-5-7-17(15-18)23(28)25-16-21(22-11-6-14-31-22)27-12-3-4-13-27/h1-2,5-11,14-15,21,26H,3-4,12-13,16H2,(H,25,28).
What are the key properties of 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 473.60 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfamoyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24640460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).