N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

C17H25N3O5S — CID 18289694

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC(C)O1
InChIInChI=1S/C17H25N3O5S/c1-12-10-20(11-13(2)25-12)16(21)9-18-17(22)14-6-5-7-15(8-14)26(23,24)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22)
InChIKeyDNRFBVBKKRZZKR-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.30
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 18289694) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID18289694
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
SMILESCC1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC(C)O1
InChIInChI=1S/C17H25N3O5S/c1-12-10-20(11-13(2)25-12)16(21)9-18-17(22)14-6-5-7-15(8-14)26(23,24)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22)
InChIKeyDNRFBVBKKRZZKR-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
3-chloro-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 35814912
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-3-nitrobenzamide
CID 27661299
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 46652197
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]benzamide
CID 24613023
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 55455919
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide (CID 18289694) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is CC1CN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is DNRFBVBKKRZZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-12-10-20(11-13(2)25-12)16(21)9-18-17(22)14-6-5-7-15(8-14)26(23,24)19(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 18289694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).