1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea

C24H25N3O4S — CID 25238488

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-16(31-20-12-9-18(10-13-20)17-7-5-4-6-8-17)23(28)26-27-24(32)25-19-11-14-21(29-2)22(15-19)30-3/h4-16H,1-3H3,(H,26,28)(H2,25,27,32)
InChIKeyJGOLSCUBFWBNHY-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.16
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea

1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea (PubChem CID 25238488) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea
PubChem CID25238488
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25N3O4S/c1-16(31-20-12-9-18(10-13-20)17-7-5-4-6-8-17)23(28)26-27-24(32)25-19-11-14-21(29-2)22(15-19)30-3/h4-16H,1-3H3,(H,26,28)(H2,25,27,32)
InChIKeyJGOLSCUBFWBNHY-UHFFFAOYSA-N
XLogP4.16
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.16
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-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]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-phenyl-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 39819113
1-[2-(3,4-dichlorophenoxy)propanoylamino]-3-(3,4-dimethoxyphenyl)thiourea
CID 2957216
1-(3,5-dichlorophenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea
CID 25238479
1-(4-methyl-2-oxochromen-7-yl)-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 2206819
1-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]-3-(3,4-dimethoxyphenyl)thiourea
CID 2209428
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
N-[(3,4-dimethoxyphenyl)carbamothioyl]-2,2-diphenylacetamide
CID 54781270
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
2-(2-methoxyphenoxy)-N'-[2-(4-phenylphenoxy)acetyl]propanehydrazide
CID 4943458

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea (CID 25238488) is 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea is COc1ccc(NC(=S)NNC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea?
The InChIKey is JGOLSCUBFWBNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-16(31-20-12-9-18(10-13-20)17-7-5-4-6-8-17)23(28)26-27-24(32)25-19-11-14-21(29-2)22(15-19)30-3/h4-16H,1-3H3,(H,26,28)(H2,25,27,32).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea?
1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea has a molecular weight of 451.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-(4-phenylphenoxy)propanoylamino]thiourea is sourced from PubChem (CID 25238488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).