4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

C22H25N5O4S — CID 55732334

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(-n4cncn4)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H25N5O4S/c1-16-12-26(13-17(2)31-16)32(29,30)21-9-5-19(6-10-21)22(28)24-11-18-3-7-20(8-4-18)27-15-23-14-25-27/h3-10,14-17H,11-13H2,1-2H3,(H,24,28)
InChIKeyMTAIGYYOQLBEGV-UHFFFAOYSA-N
MW455.54 g/mol
LogP2.00
Rot. Bonds6

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (PubChem CID 55732334) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
PubChem CID55732334
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
SMILESCC1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(-n4cncn4)cc3)cc2)CC(C)O1
InChIInChI=1S/C22H25N5O4S/c1-16-12-26(13-17(2)31-16)32(29,30)21-9-5-19(6-10-21)22(28)24-11-18-3-7-20(8-4-18)27-15-23-14-25-27/h3-10,14-17H,11-13H2,1-2H3,(H,24,28)
InChIKeyMTAIGYYOQLBEGV-UHFFFAOYSA-N
XLogP2.00
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide with MolForge

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795528
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 8781280
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 39651009
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46474057
N-[(3-chlorophenyl)methyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7959306
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880611
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 86950413
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
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 4814346
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732214
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide (CID 55732334) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is CC1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccc(-n4cncn4)cc3)cc2)CC(C)O1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
The InChIKey is MTAIGYYOQLBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-16-12-26(13-17(2)31-16)32(29,30)21-9-5-19(6-10-21)22(28)24-11-18-3-7-20(8-4-18)27-15-23-14-25-27/h3-10,14-17H,11-13H2,1-2H3,(H,24,28).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide has a molecular weight of 455.54 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 55732334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).