N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide

C23H25N3O3S — CID 27229305

IUPACN-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-26(4-2)21-14-12-19(13-15-21)24-23(27)18-10-16-22(17-11-18)30(28,29)25-20-8-6-5-7-9-20/h5-17,25H,3-4H2,1-2H3,(H,24,27)
InChIKeyIEYNHFBZWQJSBU-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.59
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide

N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 27229305) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
PubChem CID27229305
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25N3O3S/c1-3-26(4-2)21-14-12-19(13-15-21)24-23(27)18-10-16-22(17-11-18)30(28,29)25-20-8-6-5-7-9-20/h5-17,25H,3-4H2,1-2H3,(H,24,27)
InChIKeyIEYNHFBZWQJSBU-UHFFFAOYSA-N
XLogP4.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
4-(dimethylsulfamoyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638138
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
CID 24636864
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
4-[(3,5-dimethylphenyl)sulfamoyl]-N-phenylbenzamide
CID 109061613
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide (CID 27229305) is N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is IEYNHFBZWQJSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-3-26(4-2)21-14-12-19(13-15-21)24-23(27)18-10-16-22(17-11-18)30(28,29)25-20-8-6-5-7-9-20/h5-17,25H,3-4H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide?
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 423.54 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 27229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).