4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide

C19H28ClN3O5S — CID 55642370

IUPAC4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(C2CCOC2)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O5S/c1-22(2)29(25,26)18-11-14(3-4-16(18)20)19(24)21-12-17(15-5-8-28-13-15)23-6-9-27-10-7-23/h3-4,11,15,17H,5-10,12-13H2,1-2H3,(H,21,24)
InChIKeyYPGRFMNDJIEKCF-UHFFFAOYSA-N
MW445.97 g/mol
LogP1.06
Rot. Bonds7

About 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide

4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 55642370) has the molecular formula C19H28ClN3O5S and a molecular weight of 445.97 g/mol. Its IUPAC name is 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
PubChem CID55642370
Molecular FormulaC19H28ClN3O5S
Molecular Weight445.97 g/mol
Exact Mass445.14
IUPAC Name4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NCC(C2CCOC2)N2CCOCC2)ccc1Cl
InChIInChI=1S/C19H28ClN3O5S/c1-22(2)29(25,26)18-11-14(3-4-16(18)20)19(24)21-12-17(15-5-8-28-13-15)23-6-9-27-10-7-23/h3-4,11,15,17H,5-10,12-13H2,1-2H3,(H,21,24)
InChIKeyYPGRFMNDJIEKCF-UHFFFAOYSA-N
XLogP1.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55602817
3-(cyclopropylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642118
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55642193
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(dimethylsulfamoyl)benzamide
CID 55610871
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55641902
4-chloro-3-(dimethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 46798182
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
4-chloro-3-[methoxy(methyl)sulfamoyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55452162
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]pyrrole-3-carboxamide
CID 55642248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide (CID 55642370) is 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)NCC(C2CCOC2)N2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is YPGRFMNDJIEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O5S/c1-22(2)29(25,26)18-11-14(3-4-16(18)20)19(24)21-12-17(15-5-8-28-13-15)23-6-9-27-10-7-23/h3-4,11,15,17H,5-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide?
4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 445.97 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(dimethylsulfamoyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 55642370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).