2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide

C19H22ClN3O5S — CID 24625182

IUPAC2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-23(2)18(24)13-21-19(25)16-12-15(8-9-17(16)20)29(26,27)22-10-11-28-14-6-4-3-5-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyRRNBPTQGRBPNDD-UHFFFAOYSA-N
MW439.92 g/mol
LogP1.52
Rot. Bonds9

About 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide (PubChem CID 24625182) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
PubChem CID24625182
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
SMILESCN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C19H22ClN3O5S/c1-23(2)18(24)13-21-19(25)16-12-15(8-9-17(16)20)29(26,27)22-10-11-28-14-6-4-3-5-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H,21,25)
InChIKeyRRNBPTQGRBPNDD-UHFFFAOYSA-N
XLogP1.52
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24595727
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41144884
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyethylsulfamoyl)benzamide
CID 55565202
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide (CID 24625182) is 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide is CN(C)C(=O)CNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
The InChIKey is RRNBPTQGRBPNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-23(2)18(24)13-21-19(25)16-12-15(8-9-17(16)20)29(26,27)22-10-11-28-14-6-4-3-5-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H,21,25).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide?
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide has a molecular weight of 439.92 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 24625182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).