N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide

C24H24FN3O4S — CID 45354909

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H24FN3O4S/c1-16(32-20-10-6-5-9-19(20)25)22(29)26-27-23(30)21-15-18(17-7-3-2-4-8-17)24(33-21)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyBIEXSUGGSZCOCK-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.62
Rot. Bonds6

About N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide (PubChem CID 45354909) has the molecular formula C24H24FN3O4S and a molecular weight of 469.54 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide
PubChem CID45354909
Molecular FormulaC24H24FN3O4S
Molecular Weight469.54 g/mol
Exact Mass469.15
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1
InChIInChI=1S/C24H24FN3O4S/c1-16(32-20-10-6-5-9-19(20)25)22(29)26-27-23(30)21-15-18(17-7-3-2-4-8-17)24(33-21)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30)
InChIKeyBIEXSUGGSZCOCK-UHFFFAOYSA-N
XLogP3.62
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126685
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
N-(5-acetamido-2-methoxyphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 26781521
4-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24816759
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
5-chloro-2-fluoro-N'-[(2S)-2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 9087475
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
methyl 3-[(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 24516873
N-(2,5-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9138242
N-[(3,5-dimethoxyphenyl)methyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 55577868
N-(1-methylpyrazol-3-yl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 31848477

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide (CID 45354909) is N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide?
The InChIKey is BIEXSUGGSZCOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4S/c1-16(32-20-10-6-5-9-19(20)25)22(29)26-27-23(30)21-15-18(17-7-3-2-4-8-17)24(33-21)28-11-13-31-14-12-28/h2-10,15-16H,11-14H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide has a molecular weight of 469.54 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-5-morpholin-4-yl-4-phenylthiophene-2-carbohydrazide is sourced from PubChem (CID 45354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).