N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide

C20H24ClN3O4S — CID 38202373

IUPACN-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-14-16(10-11-17(18)21)20(26)23-13-12-22-19(25)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRPGPOFJDUFVEEL-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.53
Rot. Bonds9

About N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide

N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide (PubChem CID 38202373) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
PubChem CID38202373
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-14-16(10-11-17(18)21)20(26)23-13-12-22-19(25)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyRPGPOFJDUFVEEL-UHFFFAOYSA-N
XLogP2.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 39698452
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510458
1-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 26838157
4-chloro-3-(diethylsulfamoyl)-N-[2-(dimethylamino)-3-phenylpropyl]benzamide
CID 4876896
4-chloro-3-(diethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 2326320
4-chloro-3-(diethylsulfamoyl)-N-(4-phenylbutan-2-yl)benzamide
CID 6915635
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134013903
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide (CID 38202373) is N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
The InChIKey is RPGPOFJDUFVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-3-24(4-2)29(27,28)18-14-16(10-11-17(18)21)20(26)23-13-12-22-19(25)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide?
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide has a molecular weight of 437.95 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 38202373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).