2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide

C18H18FN3O3S — CID 17150463

IUPAC2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-25-11-10-20-17(24)14-4-2-3-5-15(14)21-18(26)22-16(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,24)(H2,21,22,23,26)
InChIKeyUGIBHNOPVZUFMI-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.33
Rot. Bonds6

About 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide

2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 17150463) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
PubChem CID17150463
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC Name2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-25-11-10-20-17(24)14-4-2-3-5-15(14)21-18(26)22-16(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,24)(H2,21,22,23,26)
InChIKeyUGIBHNOPVZUFMI-UHFFFAOYSA-N
XLogP2.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide 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

methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178653
2-[(4-fluorobenzoyl)carbamothioylamino]benzamide
CID 2245625
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17150440
N-(2-hydroxyethyl)-2-[(4-methoxybenzoyl)carbamothioylamino]benzamide
CID 17351262
2-[(4-fluorobenzoyl)carbamothioylamino]benzoate
CID 7381171
2-[(4-butoxybenzoyl)carbamothioylamino]-N-butylbenzamide
CID 17149493
N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150503
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
N-(2-hydroxyethyl)-2-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 17351313
N-(2-hydroxyethyl)-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17351324
2-[(4-chlorobenzoyl)carbamothioylamino]-N-(2-hydroxyethyl)benzamide
CID 17351252
2-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(3-methoxypropyl)benzamide
CID 17148503

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide (CID 17150463) is 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is UGIBHNOPVZUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-25-11-10-20-17(24)14-4-2-3-5-15(14)21-18(26)22-16(23)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3,(H,20,24)(H2,21,22,23,26).
What are the key properties of 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide?
2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 17150463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).