2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide

C19H22ClN3O5S — CID 30860063

IUPAC2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O5S/c1-22(2)18(24)12-28-14-7-5-13(6-8-14)21-19(25)16-11-15(9-10-17(16)20)29(26,27)23(3)4/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyJOPSEXDGNVSNSC-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.31
Rot. Bonds7

About 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide

2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide (PubChem CID 30860063) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
PubChem CID30860063
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC Name2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O5S/c1-22(2)18(24)12-28-14-7-5-13(6-8-14)21-19(25)16-11-15(9-10-17(16)20)29(26,27)23(3)4/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyJOPSEXDGNVSNSC-UHFFFAOYSA-N
XLogP2.31
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
CID 2707587
N-[4-(dimethylsulfamoyl)phenyl]-4-ethoxybenzamide
CID 2672905
2-chloro-N-[4-(4-chlorophenoxy)butyl]-5-(dimethylsulfamoyl)benzamide
CID 16567613
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-(dimethylsulfamoyl)benzamide
CID 55727742
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602065
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide (CID 30860063) is 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide is CN(C)C(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide?
The InChIKey is JOPSEXDGNVSNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-22(2)18(24)12-28-14-7-5-13(6-8-14)21-19(25)16-11-15(9-10-17(16)20)29(26,27)23(3)4/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide has a molecular weight of 439.92 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 30860063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).