4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C23H28N2O4S — CID 26516045

IUPAC4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1
InChIInChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-12-10-19(11-13-20)23(26)24-22-9-5-7-18-6-3-4-8-21(18)22/h5,7,9-13,16-17H,3-4,6,8,14-15H2,1-2H3,(H,24,26)/t16-,17-/m1/s1
InChIKeyGEZXTIOQBJBJPO-IAGOWNOFSA-N
MW428.55 g/mol
LogP3.62
Rot. Bonds4

About 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 26516045) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID26516045
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1
InChIInChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-12-10-19(11-13-20)23(26)24-22-9-5-7-18-6-3-4-8-21(18)22/h5,7,9-13,16-17H,3-4,6,8,14-15H2,1-2H3,(H,24,26)/t16-,17-/m1/s1
InChIKeyGEZXTIOQBJBJPO-IAGOWNOFSA-N
XLogP3.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
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-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-quinolin-8-ylbenzamide
CID 42906884
N-(2-chloro-3-pyridinyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2382084
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
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
N-(2-chloro-4-methylphenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926671
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
CID 18558813

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 26516045) is 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2)C[C@@H](C)O1.
What is the InChIKey of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is GEZXTIOQBJBJPO-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-12-10-19(11-13-20)23(26)24-22-9-5-7-18-6-3-4-8-21(18)22/h5,7,9-13,16-17H,3-4,6,8,14-15H2,1-2H3,(H,24,26)/t16-,17-/m1/s1.
What are the key properties of 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 26516045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).