3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

C17H25N3O5S — CID 110347765

IUPAC3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H25N3O5S/c1-12-5-6-14(11-15(12)26(23,24)19(3)4)16(21)18-13(2)17(22)20-7-9-25-10-8-20/h5-6,11,13H,7-10H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyJFLLAXNRYBCVEY-ZDUSSCGKSA-N
MW383.47 g/mol
LogP0.22
Rot. Bonds5

About 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide

3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (PubChem CID 110347765) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
PubChem CID110347765
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H25N3O5S/c1-12-5-6-14(11-15(12)26(23,24)19(3)4)16(21)18-13(2)17(22)20-7-9-25-10-8-20/h5-6,11,13H,7-10H2,1-4H3,(H,18,21)/t13-/m0/s1
InChIKeyJFLLAXNRYBCVEY-ZDUSSCGKSA-N
XLogP0.22
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methyl-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 94817707
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 51097695
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide
CID 41192764
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-morpholin-4-ylbenzamide
CID 46977366
3-fluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 110347745
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
3-bromo-5-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 104852991
N,N,2-trimethyl-5-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 110292445
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide (CID 110347765) is 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
The InChIKey is JFLLAXNRYBCVEY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12-5-6-14(11-15(12)26(23,24)19(3)4)16(21)18-13(2)17(22)20-7-9-25-10-8-20/h5-6,11,13H,7-10H2,1-4H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide?
3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 110347765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).