N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide

C21H21N3O3S — CID 112986068

IUPACN-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-3-5-18(6-4-15)23-19-7-9-20(10-8-19)24-28(26,27)21-13-11-17(12-14-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyNKEIZDRAZKLNJH-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.50
Rot. Bonds6

About N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 112986068) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID112986068
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C21H21N3O3S/c1-15-3-5-18(6-4-15)23-19-7-9-20(10-8-19)24-28(26,27)21-13-11-17(12-14-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25)
InChIKeyNKEIZDRAZKLNJH-UHFFFAOYSA-N
XLogP4.50
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide 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-[[4-(3-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986001
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-[4-[[3-(4-methylanilino)quinoxalin-2-yl]sulfamoyl]phenyl]acetamide
CID 1241528
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
CID 5216824
N-[4-[(3-fluoro-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 97030412
N-(4-methylphenyl)acetamide
CID 7684
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide (CID 112986068) is N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Nc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is NKEIZDRAZKLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-15-3-5-18(6-4-15)23-19-7-9-20(10-8-19)24-28(26,27)21-13-11-17(12-14-21)22-16(2)25/h3-14,23-24H,1-2H3,(H,22,25).
What are the key properties of N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 112986068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).