3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

C20H31N3O4S — CID 43057311

IUPAC3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC(C)O1
InChIInChI=1S/C20H31N3O4S/c1-15-13-23(14-16(2)27-15)11-10-21-20(24)17-6-5-9-19(12-17)28(25,26)22-18-7-3-4-8-18/h5-6,9,12,15-16,18,22H,3-4,7-8,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyOKLQBIAGTZVTJJ-UHFFFAOYSA-N
MW409.55 g/mol
LogP1.75
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide

3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (PubChem CID 43057311) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
PubChem CID43057311
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC Name3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
SMILESCC1CN(CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC(C)O1
InChIInChI=1S/C20H31N3O4S/c1-15-13-23(14-16(2)27-15)11-10-21-20(24)17-6-5-9-19(12-17)28(25,26)22-18-7-3-4-8-18/h5-6,9,12,15-16,18,22H,3-4,7-8,10-11,13-14H2,1-2H3,(H,21,24)
InChIKeyOKLQBIAGTZVTJJ-UHFFFAOYSA-N
XLogP1.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 42939983
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclopentylsulfamoyl)-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429592
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43044408
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
N-[3-(cyclohexylamino)-3-oxopropyl]-3-(cyclopropylsulfamoyl)benzamide
CID 55951436
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide (CID 43057311) is 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is CC1CN(CCNC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC(C)O1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
The InChIKey is OKLQBIAGTZVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-15-13-23(14-16(2)27-15)11-10-21-20(24)17-6-5-9-19(12-17)28(25,26)22-18-7-3-4-8-18/h5-6,9,12,15-16,18,22H,3-4,7-8,10-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide?
3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide has a molecular weight of 409.55 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide is sourced from PubChem (CID 43057311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).