N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C22H27ClN2O4S — CID 55497440

IUPACN-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-4-21(17-5-9-19(23)10-6-17)24-22(26)18-7-11-20(12-8-18)30(27,28)25-13-15(2)29-16(3)14-25/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyISAOXLYFUYTGEH-UHFFFAOYSA-N
MW450.99 g/mol
LogP4.02
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 55497440) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID55497440
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O4S/c1-4-21(17-5-9-19(23)10-6-17)24-22(26)18-7-11-20(12-8-18)30(27,28)25-13-15(2)29-16(3)14-25/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,24,26)
InChIKeyISAOXLYFUYTGEH-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]-3-methylbutanoic acid
CID 119368860
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-methyl-1-thiophen-2-ylbutyl)benzamide
CID 55923133
methyl (2S)-2-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-3-hydroxypropanoate
CID 9277670
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
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-chlorophenyl) 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 7900867
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(2S)-2-ethylhexyl]benzamide
CID 8712887
N-[1-(4-methoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 78625788
N-[(2R)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 98766905
N-[(3-chlorophenyl)methyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7959306

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 55497440) is N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CCC(NC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is ISAOXLYFUYTGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-4-21(17-5-9-19(23)10-6-17)24-22(26)18-7-11-20(12-8-18)30(27,28)25-13-15(2)29-16(3)14-25/h5-12,15-16,21H,4,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 450.99 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 55497440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).