1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea

C20H16F3N3O3S — CID 18871805

IUPAC1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H16F3N3O3S/c1-28-16-8-3-2-7-14(16)24-19(30)26-25-18(27)17-10-9-15(29-17)12-5-4-6-13(11-12)20(21,22)23/h2-11H,1H3,(H,25,27)(H2,24,26,30)
InChIKeyKIGXXVHQABEODY-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.61
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea

1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea (PubChem CID 18871805) has the molecular formula C20H16F3N3O3S and a molecular weight of 435.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
PubChem CID18871805
Molecular FormulaC20H16F3N3O3S
Molecular Weight435.43 g/mol
Exact Mass435.09
IUPAC Name1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
SMILESCOc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H16F3N3O3S/c1-28-16-8-3-2-7-14(16)24-19(30)26-25-18(27)17-10-9-15(29-17)12-5-4-6-13(11-12)20(21,22)23/h2-11H,1H3,(H,25,27)(H2,24,26,30)
InChIKeyKIGXXVHQABEODY-UHFFFAOYSA-N
XLogP4.61
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.61
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-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]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-(2-methylphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871693
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 18871792

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea (CID 18871805) is 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea is COc1ccccc1NC(=S)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea?
The InChIKey is KIGXXVHQABEODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O3S/c1-28-16-8-3-2-7-14(16)24-19(30)26-25-18(27)17-10-9-15(29-17)12-5-4-6-13(11-12)20(21,22)23/h2-11H,1H3,(H,25,27)(H2,24,26,30).
What are the key properties of 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea?
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea has a molecular weight of 435.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea is sourced from PubChem (CID 18871805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).