N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide

C24H34N4O4S — CID 26223660

IUPACN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccc(CC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H34N4O4S/c1-17(2)12-19-6-8-20(9-7-19)16-27-22-13-21(24(30)26-11-10-25-18(3)29)14-23(15-22)33(31,32)28(4)5/h6-9,13-15,17,27H,10-12,16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyIYSSFUBFGWXHIK-UHFFFAOYSA-N
MW474.63 g/mol
LogP2.61
Rot. Bonds11

About N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide

N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide (PubChem CID 26223660) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
PubChem CID26223660
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC NameN-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide
SMILESCC(=O)NCCNC(=O)c1cc(NCc2ccc(CC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C24H34N4O4S/c1-17(2)12-19-6-8-20(9-7-19)16-27-22-13-21(24(30)26-11-10-25-18(3)29)14-23(15-22)33(31,32)28(4)5/h6-9,13-15,17,27H,10-12,16H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyIYSSFUBFGWXHIK-UHFFFAOYSA-N
XLogP2.61
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(furan-3-ylmethylamino)benzamide
CID 26222863
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(thiophen-3-ylmethylamino)benzamide
CID 26227326
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-(1-methylsulfanylpropan-2-ylamino)benzamide
CID 45165144
3-(dimethylsulfamoyl)-5-[(4-ethoxyphenyl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26144970
N,N-dimethyl-4-(2-methylpropyl)benzenesulfonamide
CID 14574391
3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 45159766
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
3-(dimethylsulfamoyl)-N-[3-(2-methylpropyl)phenyl]benzamide
CID 110425651
3-(dimethylsulfamoyl)-5-[(5-ethylfuran-2-yl)methylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 26143583
N-[3-(dimethylamino)propyl]-4-(2-methylpropyl)benzamide
CID 110761239
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide (CID 26223660) is N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide is CC(=O)NCCNC(=O)c1cc(NCc2ccc(CC(C)C)cc2)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide?
The InChIKey is IYSSFUBFGWXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-17(2)12-19-6-8-20(9-7-19)16-27-22-13-21(24(30)26-11-10-25-18(3)29)14-23(15-22)33(31,32)28(4)5/h6-9,13-15,17,27H,10-12,16H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide?
N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide has a molecular weight of 474.63 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(dimethylsulfamoyl)-5-[[4-(2-methylpropyl)phenyl]methylamino]benzamide is sourced from PubChem (CID 26223660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).