N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide

C22H28N4O4S — CID 2803391

IUPACN-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O4S/c1-4-14-26(15-5-2)31(29,30)21-12-8-19(9-13-21)22(28)25-23-16-18-6-10-20(11-7-18)24-17(3)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySALKUBNASUHODZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP3.22
Rot. Bonds10

About N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide

N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide (PubChem CID 2803391) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
PubChem CID2803391
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C22H28N4O4S/c1-4-14-26(15-5-2)31(29,30)21-12-8-19(9-13-21)22(28)25-23-16-18-6-10-20(11-7-18)24-17(3)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySALKUBNASUHODZ-UHFFFAOYSA-N
XLogP3.22
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-acetamidophenyl)methylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 4000215
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
methyl 4-[(Z)-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoate
CID 92513082
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide (CID 2803391) is N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN=Cc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide?
The InChIKey is SALKUBNASUHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-4-14-26(15-5-2)31(29,30)21-12-8-19(9-13-21)22(28)25-23-16-18-6-10-20(11-7-18)24-17(3)27/h6-13,16H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide?
N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide has a molecular weight of 444.56 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methylideneamino]-4-(dipropylsulfamoyl)benzamide is sourced from PubChem (CID 2803391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).