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

C18H23N3O3S — CID 27229396

IUPACN-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-6-12-17(13-7-14)25(23,24)19-3/h6-13,19H,4-5H2,1-3H3,(H,20,22)
InChIKeyXNMSAIXLYPUXRS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.69
Rot. Bonds7

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

N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide (PubChem CID 27229396) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
PubChem CID27229396
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-6-12-17(13-7-14)25(23,24)19-3/h6-13,19H,4-5H2,1-3H3,(H,20,22)
InChIKeyXNMSAIXLYPUXRS-UHFFFAOYSA-N
XLogP2.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.69
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-(phenylsulfamoyl)benzamide
CID 27229305
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-4-(diethylamino)benzamide
CID 51566582
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
4-N-tert-butyl-1-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048527
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
3,4,5-triethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219654
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
4-(ethylsulfamoyl)-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 46518600

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide (CID 27229396) is N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide is CCN(CC)c1ccc(NC(=O)c2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is XNMSAIXLYPUXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-21(5-2)16-10-8-15(9-11-16)20-18(22)14-6-12-17(13-7-14)25(23,24)19-3/h6-13,19H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide?
N-[4-(diethylamino)phenyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.69, 7 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-(methylsulfamoyl)benzamide is sourced from PubChem (CID 27229396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).