1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea

C22H21N3O2S — CID 8626379

IUPAC1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-23-22(28)25-24-21(26)18-13-11-16(12-14-18)15-27-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H2,23,25,28)
InChIKeyAXPJPOXTWKKZFX-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.67
Rot. Bonds5

About 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea

1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea (PubChem CID 8626379) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
PubChem CID8626379
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
SMILESCNC(=S)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H21N3O2S/c1-23-22(28)25-24-21(26)18-13-11-16(12-14-18)15-27-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H2,23,25,28)
InChIKeyAXPJPOXTWKKZFX-UHFFFAOYSA-N
XLogP3.67
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea 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

1-methyl-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 146584158
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-[(Z)-cyclohex-3-en-1-ylidenemethyl]-4-[(2-phenylphenoxy)methyl]benzohydrazide
CID 2381303
N-[1-(furan-2-yl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3309207
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
CID 55333341
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
benzyl [2-[4-(methylcarbamoyl)phenyl]phenyl] carbonate
CID 177245881
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6903402
1-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-3-(2-ethoxyphenyl)thiourea
CID 19581748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea?
The IUPAC name of 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea (CID 8626379) is 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea.
What is the SMILES notation for 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea?
The canonical SMILES for 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea is CNC(=S)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea?
The InChIKey is AXPJPOXTWKKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-23-22(28)25-24-21(26)18-13-11-16(12-14-18)15-27-20-10-6-5-9-19(20)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,24,26)(H2,23,25,28).
What are the key properties of 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea?
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea has a molecular weight of 391.50 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea is sourced from PubChem (CID 8626379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).