N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide

C21H27N3O5S — CID 55349891

IUPACN-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-14-17(12-13-18(19)29-6-3)23-20(25)15-22-21(26)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyJIRNYKXHHKKRPX-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.48
Rot. Bonds10

About N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide

N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide (PubChem CID 55349891) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
PubChem CID55349891
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-14-17(12-13-18(19)29-6-3)23-20(25)15-22-21(26)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyJIRNYKXHHKKRPX-UHFFFAOYSA-N
XLogP2.48
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]acetamide
CID 119686493
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55337258
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 43000493
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
3-(3-bromophenyl)-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 112764541
1-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-(2-methylprop-2-enyl)thiourea
CID 8656487
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide (CID 55349891) is N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide is CCOc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide?
The InChIKey is JIRNYKXHHKKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-14-17(12-13-18(19)29-6-3)23-20(25)15-22-21(26)16-10-8-7-9-11-16/h7-14H,4-6,15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide?
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide has a molecular weight of 433.53 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55349891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).