1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea

C17H17Cl2N3O4S — CID 17283054

IUPAC1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
SMILESCOc1ccc(OC)c(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O4S/c1-24-11-4-6-15(25-2)13(8-11)20-17(27)22-21-16(23)9-26-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,27)
InChIKeyHBYLCLNQJNKEBQ-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.41
Rot. Bonds6

About 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea

1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea (PubChem CID 17283054) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
PubChem CID17283054
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC Name1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
SMILESCOc1ccc(OC)c(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H17Cl2N3O4S/c1-24-11-4-6-15(25-2)13(8-11)20-17(27)22-21-16(23)9-26-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,27)
InChIKeyHBYLCLNQJNKEBQ-UHFFFAOYSA-N
XLogP3.41
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)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

4-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)carbamothioyl]butanamide
CID 3250470
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506243
methyl N-[(2,5-dimethoxyphenyl)carbamothioylamino]carbamate
CID 970721
1-(5-chloro-2-methoxyphenyl)-3-[(2-cyanoacetyl)amino]thiourea
CID 146579436
2-(2-chloro-5-methylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 7778322
2-(2,4-dichlorophenoxy)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33099359
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285
1-(2,4-dichlorophenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]thiourea
CID 3309711
2,4-dichloro-N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]benzamide
CID 3508978
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea?
The IUPAC name of 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea (CID 17283054) is 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea.
What is the SMILES notation for 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea?
The canonical SMILES for 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea is COc1ccc(OC)c(NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea?
The InChIKey is HBYLCLNQJNKEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-24-11-4-6-15(25-2)13(8-11)20-17(27)22-21-16(23)9-26-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,27).
What are the key properties of 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea?
1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea has a molecular weight of 430.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea is sourced from PubChem (CID 17283054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).