N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide

C25H28N4O4S — CID 24636864

IUPACN-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H28N4O4S/c1-4-29(5-2)22-13-11-19(12-14-22)24(30)26-27-25(31)20-7-6-8-21(17-20)28-34(32,33)23-15-9-18(3)10-16-23/h6-17,28H,4-5H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyHSGPBNAXPQFZKW-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.72
Rot. Bonds8

About N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide

N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 24636864) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID24636864
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C25H28N4O4S/c1-4-29(5-2)22-13-11-19(12-14-22)24(30)26-27-25(31)20-7-6-8-21(17-20)28-34(32,33)23-15-9-18(3)10-16-23/h6-17,28H,4-5H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyHSGPBNAXPQFZKW-UHFFFAOYSA-N
XLogP3.72
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-[(2S)-butan-2-yl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448539
3-[(4-methylphenyl)sulfonylamino]-N-pentan-2-ylbenzamide
CID 19062395
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
4-(diethylamino)-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9156253
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9227126
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N-[5-[[[4-(diethylamino)benzoyl]amino]carbamoyl]-2-methylphenyl]methanesulfonamide
CID 39982550
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[3-(dipropylamino)phenyl]-4-methylbenzenesulfonamide
CID 139908024
3-[(4-methylphenyl)sulfonylamino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 92505181

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide (CID 24636864) is N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide is CCN(CC)c1ccc(C(=O)NNC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HSGPBNAXPQFZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-4-29(5-2)22-13-11-19(12-14-22)24(30)26-27-25(31)20-7-6-8-21(17-20)28-34(32,33)23-15-9-18(3)10-16-23/h6-17,28H,4-5H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide?
N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 480.59 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[4-(diethylamino)benzoyl]amino]carbamoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24636864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).