N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride

C19H32ClN3O4S — CID 119643540

IUPACN-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-5-19(20,6-2)13-21-18(23)16-7-9-17(10-8-16)27(24,25)22-11-14(3)26-15(4)12-22;/h7-10,14-15H,5-6,11-13,20H2,1-4H3,(H,21,23);1H
InChIKeyUZHSBIFGRNVYGM-UHFFFAOYSA-N
MW434.00 g/mol
LogP2.15
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride (PubChem CID 119643540) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
PubChem CID119643540
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-5-19(20,6-2)13-21-18(23)16-7-9-17(10-8-16)27(24,25)22-11-14(3)26-15(4)12-22;/h7-10,14-15H,5-6,11-13,20H2,1-4H3,(H,21,23);1H
InChIKeyUZHSBIFGRNVYGM-UHFFFAOYSA-N
XLogP2.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride with MolForge

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Related Compounds

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51960164
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 8839629
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
N-[(2R)-2-cyclopropyl-2-hydroxyethyl]-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 96541952
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
3-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]propyl-dimethylazanium
CID 8886355
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-2-ethylhexyl]benzamide
CID 8712887

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride (CID 119643540) is N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is UZHSBIFGRNVYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-5-19(20,6-2)13-21-18(23)16-7-9-17(10-8-16)27(24,25)22-11-14(3)26-15(4)12-22;/h7-10,14-15H,5-6,11-13,20H2,1-4H3,(H,21,23);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119643540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).