[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate

C23H20ClNO3S — CID 26689437

IUPAC[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate
SMILESCc1cccc(CSCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H20ClNO3S/c1-16-5-4-6-17(13-16)14-29-15-22(26)28-19-11-9-18(10-12-19)25-23(27)20-7-2-3-8-21(20)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyMIZJUEGPQADLDX-UHFFFAOYSA-N
MW425.94 g/mol
LogP5.74
Rot. Bonds7

About [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate

[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate (PubChem CID 26689437) has the molecular formula C23H20ClNO3S and a molecular weight of 425.94 g/mol. Its IUPAC name is [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate
PubChem CID26689437
Molecular FormulaC23H20ClNO3S
Molecular Weight425.94 g/mol
Exact Mass425.09
IUPAC Name[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate
SMILESCc1cccc(CSCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H20ClNO3S/c1-16-5-4-6-17(13-16)14-29-15-22(26)28-19-11-9-18(10-12-19)25-23(27)20-7-2-3-8-21(20)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyMIZJUEGPQADLDX-UHFFFAOYSA-N
XLogP5.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.94
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate 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

[4-[(2-chlorobenzoyl)amino]phenyl] 4-(3-methylphenoxy)butanoate
CID 26683269
2-[(3-methylphenyl)methylsulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 7914800
N-(4-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 733609
[4-[(2-chlorobenzoyl)amino]phenyl] 4-methylbenzoate
CID 8917316
[4-[(2-chlorobenzoyl)amino]phenyl] 3-phenoxypropanoate
CID 26682865
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62766577
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
1-(2-methoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62765201
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1355970
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate?
The IUPAC name of [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate (CID 26689437) is [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate.
What is the SMILES notation for [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate?
The canonical SMILES for [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate is Cc1cccc(CSCC(=O)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)c1.
What is the InChIKey of [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate?
The InChIKey is MIZJUEGPQADLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3S/c1-16-5-4-6-17(13-16)14-29-15-22(26)28-19-11-9-18(10-12-19)25-23(27)20-7-2-3-8-21(20)24/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate?
[4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate has a molecular weight of 425.94 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorobenzoyl)amino]phenyl] 2-[(3-methylphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 26689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).