5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

C22H35N3O5S — CID 46512676

IUPAC5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C22H35N3O5S/c1-18-6-7-19(31(27,28)24-10-13-29-2)16-20(18)21(26)23-17-22(8-4-3-5-9-22)25-11-14-30-15-12-25/h6-7,16,24H,3-5,8-15,17H2,1-2H3,(H,23,26)
InChIKeyZRMWMINVKTXLQK-UHFFFAOYSA-N
MW453.61 g/mol
LogP1.68
Rot. Bonds9

About 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (PubChem CID 46512676) has the molecular formula C22H35N3O5S and a molecular weight of 453.61 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
PubChem CID46512676
Molecular FormulaC22H35N3O5S
Molecular Weight453.61 g/mol
Exact Mass453.23
IUPAC Name5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C22H35N3O5S/c1-18-6-7-19(31(27,28)24-10-13-29-2)16-20(18)21(26)23-17-22(8-4-3-5-9-22)25-11-14-30-15-12-25/h6-7,16,24H,3-5,8-15,17H2,1-2H3,(H,23,26)
InChIKeyZRMWMINVKTXLQK-UHFFFAOYSA-N
XLogP1.68
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 60615489
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55347344
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
5-(2-methoxyethylsulfamoyl)-N,N,2-trimethylbenzamide
CID 43002807
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
5-(2-methoxyethylsulfamoyl)-2-methyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390825
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
2-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]-5-sulfamoylbenzamide
CID 2561314
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The IUPAC name of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide (CID 46512676) is 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The canonical SMILES for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
The InChIKey is ZRMWMINVKTXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O5S/c1-18-6-7-19(31(27,28)24-10-13-29-2)16-20(18)21(26)23-17-22(8-4-3-5-9-22)25-11-14-30-15-12-25/h6-7,16,24H,3-5,8-15,17H2,1-2H3,(H,23,26).
What are the key properties of 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide?
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide has a molecular weight of 453.61 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfamoyl)-2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 46512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).