4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide

C20H24N2O4S2 — CID 7900282

IUPAC4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1
InChIInChI=1S/C20H24N2O4S2/c1-14-12-22(13-15(2)26-14)28(24,25)19-9-7-16(8-10-19)20(23)21-17-5-4-6-18(11-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)/t14-,15+
InChIKeyCQAIMRSDRMVFMW-GASCZTMLSA-N
MW420.56 g/mol
LogP3.46
Rot. Bonds5

About 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide

4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 7900282) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID7900282
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Name4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1
InChIInChI=1S/C20H24N2O4S2/c1-14-12-22(13-15(2)26-14)28(24,25)19-9-7-16(8-10-19)20(23)21-17-5-4-6-18(11-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)/t14-,15+
InChIKeyCQAIMRSDRMVFMW-GASCZTMLSA-N
XLogP3.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 8761875
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-(4-hydroxyphenyl)benzamide
CID 94696380
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-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-4-phenylbenzamide
CID 167754266
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
4-(tert-butylsulfonylamino)-N-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 20629618
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-nitrophenyl)benzamide
CID 46521653
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 41170655

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide (CID 7900282) is 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)c1.
What is the InChIKey of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is CQAIMRSDRMVFMW-GASCZTMLSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-14-12-22(13-15(2)26-14)28(24,25)19-9-7-16(8-10-19)20(23)21-17-5-4-6-18(11-17)27-3/h4-11,14-15H,12-13H2,1-3H3,(H,21,23)/t14-,15+.
What are the key properties of 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide?
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 420.56 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 7900282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).