1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea

C17H18ClN3O3S — CID 9298340

IUPAC1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
SMILESCOc1ccc(CC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClN3O3S/c1-23-14-7-6-11(8-15(14)24-2)9-16(22)20-21-17(25)19-13-5-3-4-12(18)10-13/h3-8,10H,9H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyYEECNRNMXQTBCE-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.92
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea

1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea (PubChem CID 9298340) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
PubChem CID9298340
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
SMILESCOc1ccc(CC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClN3O3S/c1-23-14-7-6-11(8-15(14)24-2)9-16(22)20-21-17(25)19-13-5-3-4-12(18)10-13/h3-8,10H,9H2,1-2H3,(H,20,22)(H2,19,21,25)
InChIKeyYEECNRNMXQTBCE-UHFFFAOYSA-N
XLogP2.92
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]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-(3-chlorophenyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea
CID 9480319
1-(3-chlorophenyl)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9480211
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949928
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
1-(3,4-dimethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]thiourea
CID 2206292
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
1-(3-chlorophenyl)-3-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9480112
1-[3-(4-tert-butylphenyl)propanoylamino]-3-(3-chlorophenyl)thiourea
CID 9376702
N-(3-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8720958
1-(3-chloro-4-methoxyphenyl)-3-(3-chlorophenyl)thiourea
CID 19677525

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea (CID 9298340) is 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea is COc1ccc(CC(=O)NNC(=S)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea?
The InChIKey is YEECNRNMXQTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-23-14-7-6-11(8-15(14)24-2)9-16(22)20-21-17(25)19-13-5-3-4-12(18)10-13/h3-8,10H,9H2,1-2H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea?
1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea has a molecular weight of 379.87 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea is sourced from PubChem (CID 9298340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).