N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide

C25H24ClN3O2S — CID 112800932

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccccc1C(=O)N1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O2S/c26-18-11-13-19(14-12-18)32-23-10-4-3-9-22(23)28-24(30)17-27-21-8-2-1-7-20(21)25(31)29-15-5-6-16-29/h1-4,7-14,27H,5-6,15-17H2,(H,28,30)
InChIKeyZMAJPBBPJMDKFJ-UHFFFAOYSA-N
MW466.01 g/mol
LogP5.78
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 112800932) has the molecular formula C25H24ClN3O2S and a molecular weight of 466.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID112800932
Molecular FormulaC25H24ClN3O2S
Molecular Weight466.01 g/mol
Exact Mass465.13
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1ccccc1C(=O)N1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C25H24ClN3O2S/c26-18-11-13-19(14-12-18)32-23-10-4-3-9-22(23)28-24(30)17-27-21-8-2-1-7-20(21)25(31)29-15-5-6-16-29/h1-4,7-14,27H,5-6,15-17H2,(H,28,30)
InChIKeyZMAJPBBPJMDKFJ-UHFFFAOYSA-N
XLogP5.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.01
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]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-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] 2-chlorobenzoate
CID 4854500
2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
N-(5-chloro-2-fluorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536696
3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 1296490
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 23908442
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
4-chloro-N-[3-oxo-3-[2-(piperidine-1-carbonyl)anilino]propyl]benzamide
CID 26905347

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 112800932) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide is O=C(CNc1ccccc1C(=O)N1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is ZMAJPBBPJMDKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2S/c26-18-11-13-19(14-12-18)32-23-10-4-3-9-22(23)28-24(30)17-27-21-8-2-1-7-20(21)25(31)29-15-5-6-16-29/h1-4,7-14,27H,5-6,15-17H2,(H,28,30).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 466.01 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[2-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 112800932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).