2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

C23H32N4O5S — CID 55565900

IUPAC2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H32N4O5S/c1-6-32-20-12-11-17(13-21(20)33(30,31)27(4)5)24-15-22(28)26-19-10-8-7-9-18(19)23(29)25-14-16(2)3/h7-13,16,24H,6,14-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyUTPUCSRUSKDRSH-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.77
Rot. Bonds11

About 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 55565900) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID55565900
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H32N4O5S/c1-6-32-20-12-11-17(13-21(20)33(30,31)27(4)5)24-15-22(28)26-19-10-8-7-9-18(19)23(29)25-14-16(2)3/h7-13,16,24H,6,14-15H2,1-5H3,(H,25,29)(H,26,28)
InChIKeyUTPUCSRUSKDRSH-UHFFFAOYSA-N
XLogP2.77
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
CID 36587541
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
2-[(2-ethoxybenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 37003750
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-methylpentanamide
CID 119693219
N-(2-methylpropyl)-2-[[2-[3-(propylcarbamoyl)anilino]acetyl]amino]benzamide
CID 60537365
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(2-propan-2-ylphenyl)acetamide
CID 18096563
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-ethyl-N-phenylacetamide
CID 37218709

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 55565900) is 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is CCOc1ccc(NCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is UTPUCSRUSKDRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-6-32-20-12-11-17(13-21(20)33(30,31)27(4)5)24-15-22(28)26-19-10-8-7-9-18(19)23(29)25-14-16(2)3/h7-13,16,24H,6,14-15H2,1-5H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 476.60 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 55565900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).