3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C23H28N2O4S — CID 26058274

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-10-5-9-19(13-20)23(26)24-22-12-6-8-18-7-3-4-11-21(18)22/h3-5,7,9-11,13,16-17,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t16-,17+,22-/m0/s1
InChIKeyRLBAHLGZXBEFIN-JKSBSHDWSA-N
MW428.55 g/mol
LogP3.29
Rot. Bonds4

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 26058274) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID26058274
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-10-5-9-19(13-20)23(26)24-22-12-6-8-18-7-3-4-11-21(18)22/h3-5,7,9-11,13,16-17,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t16-,17+,22-/m0/s1
InChIKeyRLBAHLGZXBEFIN-JKSBSHDWSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2433897
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 129376632
3-(diethylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42964993
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-hydroxyethyl)benzamide
CID 2330706
N-[2-(aminomethyl)cyclopentyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119603567
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrole-2-carboxamide
CID 53087272
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525
3-[methyl(methylsulfonyl)amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95118644

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 26058274) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is RLBAHLGZXBEFIN-JKSBSHDWSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-14-25(15-17(2)29-16)30(27,28)20-10-5-9-19(13-20)23(26)24-22-12-6-8-18-7-3-4-11-21(18)22/h3-5,7,9-11,13,16-17,22H,6,8,12,14-15H2,1-2H3,(H,24,26)/t16-,17+,22-/m0/s1.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 26058274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).