4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide

C22H23N3O4S — CID 42906884

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc34)cc2)CC(C)O1
InChIInChI=1S/C22H23N3O4S/c1-15-13-25(14-16(2)29-15)30(27,28)19-10-8-18(9-11-19)22(26)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyJYGWFGRSJGMMFA-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.29
Rot. Bonds4

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide (PubChem CID 42906884) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
PubChem CID42906884
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc34)cc2)CC(C)O1
InChIInChI=1S/C22H23N3O4S/c1-15-13-25(14-16(2)29-15)30(27,28)19-10-8-18(9-11-19)22(26)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26)
InChIKeyJYGWFGRSJGMMFA-UHFFFAOYSA-N
XLogP3.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-3-pyridinyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2382084
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612
4-morpholin-4-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123616
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 26516045
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
4-(tert-butylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31542150
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide (CID 42906884) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4cccnc34)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide?
The InChIKey is JYGWFGRSJGMMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-15-13-25(14-16(2)29-15)30(27,28)19-10-8-18(9-11-19)22(26)24-20-7-3-5-17-6-4-12-23-21(17)20/h3-12,15-16H,13-14H2,1-2H3,(H,24,26).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide has a molecular weight of 425.51 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 42906884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).