N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

C24H27N3O3S — CID 27229309

IUPACN-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-27(5-2)21-14-12-20(13-15-21)25-24(28)19-10-16-22(17-11-19)31(29,30)26-23-9-7-6-8-18(23)3/h6-17,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyRHPVVRFFYUFIRI-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.89
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide

N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (PubChem CID 27229309) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
PubChem CID27229309
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-4-27(5-2)21-14-12-20(13-15-21)25-24(28)19-10-16-22(17-11-19)31(29,30)26-23-9-7-6-8-18(23)3/h6-17,26H,4-5H2,1-3H3,(H,25,28)
InChIKeyRHPVVRFFYUFIRI-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.89
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,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
CID 27229396
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
N,N-dimethyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 30379157
N-(2-ethyl-6-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 112770783
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 55865615

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide (CID 27229309) is N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
The InChIKey is RHPVVRFFYUFIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-4-27(5-2)21-14-12-20(13-15-21)25-24(28)19-10-16-22(17-11-19)31(29,30)26-23-9-7-6-8-18(23)3/h6-17,26H,4-5H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide?
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.89, 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-[(2-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27229309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).