2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide

C21H26ClN3O4S — CID 55368520

IUPAC2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H26ClN3O4S/c1-4-23-20(26)15-24(5-2)21(27)18-14-17(12-13-19(18)22)30(28,29)25(6-3)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,23,26)
InChIKeyYXUGKVBOYOFZSQ-UHFFFAOYSA-N
MW451.98 g/mol
LogP3.15
Rot. Bonds9

About 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide

2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide (PubChem CID 55368520) has the molecular formula C21H26ClN3O4S and a molecular weight of 451.98 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
PubChem CID55368520
Molecular FormulaC21H26ClN3O4S
Molecular Weight451.98 g/mol
Exact Mass451.13
IUPAC Name2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl
InChIInChI=1S/C21H26ClN3O4S/c1-4-23-20(26)15-24(5-2)21(27)18-14-17(12-13-19(18)22)30(28,29)25(6-3)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,23,26)
InChIKeyYXUGKVBOYOFZSQ-UHFFFAOYSA-N
XLogP3.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.98
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-pentan-3-ylbenzamide
CID 7962770
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2,4,6-trichlorophenyl)benzamide
CID 2344205
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 4814342
4-chloro-N-ethyl-3-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2594382
N-(3-acetylphenyl)-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 134059345
2-chloro-N-[(1S)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855582
2-chloro-N-[(1R)-1-cyclopropylethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 8855589
[2-(2-methylpropanoylamino)-2-oxoethyl] 2-chloro-5-[ethyl(phenyl)sulfamoyl]benzoate
CID 2472808
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-ethylacetamide
CID 2221414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide (CID 55368520) is 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide is CCNC(=O)CN(CC)C(=O)c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
The InChIKey is YXUGKVBOYOFZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4S/c1-4-23-20(26)15-24(5-2)21(27)18-14-17(12-13-19(18)22)30(28,29)25(6-3)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,23,26).
What are the key properties of 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide has a molecular weight of 451.98 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-[ethyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 55368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).