3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide

C20H23FN2O4S — CID 46424901

IUPAC3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(F)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-10-9-15(20(24)22-13-14-5-4-6-16(21)11-14)12-19(18)28(25,26)23-17-7-2-3-8-17/h4-6,9-12,17,23H,2-3,7-8,13H2,1H3,(H,22,24)
InChIKeyRHOXWNDKPKIXAG-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.99
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide

3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 46424901) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
PubChem CID46424901
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(F)c2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-18-10-9-15(20(24)22-13-14-5-4-6-16(21)11-14)12-19(18)28(25,26)23-17-7-2-3-8-17/h4-6,9-12,17,23H,2-3,7-8,13H2,1H3,(H,22,24)
InChIKeyRHOXWNDKPKIXAG-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119501094
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
CID 27740220
3-(cyclopentylsulfamoyl)-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 27548348
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
3-(cyclopropylsulfamoyl)-4-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119502368
N-[(3-fluorophenyl)methyl]-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635886
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide (CID 46424901) is 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cccc(F)c2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is RHOXWNDKPKIXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-18-10-9-15(20(24)22-13-14-5-4-6-16(21)11-14)12-19(18)28(25,26)23-17-7-2-3-8-17/h4-6,9-12,17,23H,2-3,7-8,13H2,1H3,(H,22,24).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide?
3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 406.48 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 46424901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).