N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide

C22H21FN2O4S — CID 27164375

IUPACN'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1
InChIInChI=1S/C22H21FN2O4S/c1-28-17-11-14(12-18(13-17)29-2)3-10-21(26)24-25-22(27)20-9-8-19(30-20)15-4-6-16(23)7-5-15/h4-9,11-13H,3,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGOIORNCTWGCDQY-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.97
Rot. Bonds7

About N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide

N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide (PubChem CID 27164375) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
PubChem CID27164375
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC NameN'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCOc1cc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1
InChIInChI=1S/C22H21FN2O4S/c1-28-17-11-14(12-18(13-17)29-2)3-10-21(26)24-25-22(27)20-9-8-19(30-20)15-4-6-16(23)7-5-15/h4-9,11-13H,3,10H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGOIORNCTWGCDQY-UHFFFAOYSA-N
XLogP3.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide (CID 27164375) is N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide is COc1cc(CCC(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1.
What is the InChIKey of N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The InChIKey is GOIORNCTWGCDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-28-17-11-14(12-18(13-17)29-2)3-10-21(26)24-25-22(27)20-9-8-19(30-20)15-4-6-16(23)7-5-15/h4-9,11-13H,3,10H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide has a molecular weight of 428.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-dimethoxyphenyl)propanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 27164375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).