4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C17H21N3O5S — CID 3144396

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C17H21N3O5S/c1-11-8-16(19-25-11)18-17(21)14-4-6-15(7-5-14)26(22,23)20-9-12(2)24-13(3)10-20/h4-8,12-13H,9-10H2,1-3H3,(H,18,19,21)
InChIKeyJZTYDGCMANGITI-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.03
Rot. Bonds4

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 3144396) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID3144396
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)no1
InChIInChI=1S/C17H21N3O5S/c1-11-8-16(19-25-11)18-17(21)14-4-6-15(7-5-14)26(22,23)20-9-12(2)24-13(3)10-20/h4-8,12-13H,9-10H2,1-3H3,(H,18,19,21)
InChIKeyJZTYDGCMANGITI-UHFFFAOYSA-N
XLogP2.03
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 27262017
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,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672
N-(2-chloro-4-methylphenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926671
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 2326585
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2088924
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 4182161
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
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-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 3144396) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)no1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is JZTYDGCMANGITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-11-8-16(19-25-11)18-17(21)14-4-6-15(7-5-14)26(22,23)20-9-12(2)24-13(3)10-20/h4-8,12-13H,9-10H2,1-3H3,(H,18,19,21).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 3144396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).