N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

C22H23N3O3S — CID 46554404

IUPACN-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-7-13-21(14-8-17)29(27,28)23-16-15-22(26)25-20-11-9-19(10-12-20)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26)
InChIKeyPCGMNPLITBIDSW-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.05
Rot. Bonds8

About N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide

N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 46554404) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID46554404
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N3O3S/c1-17-7-13-21(14-8-17)29(27,28)23-16-15-22(26)25-20-11-9-19(10-12-20)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26)
InChIKeyPCGMNPLITBIDSW-UHFFFAOYSA-N
XLogP4.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide 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

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
methyl 4-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate
CID 982255
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
N-(4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide (CID 46554404) is N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is PCGMNPLITBIDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-17-7-13-21(14-8-17)29(27,28)23-16-15-22(26)25-20-11-9-19(10-12-20)24-18-5-3-2-4-6-18/h2-14,23-24H,15-16H2,1H3,(H,25,26).
What are the key properties of N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide?
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 409.51 g/mol, XLogP of 4.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 46554404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).