N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

C17H18FN3O4S — CID 43017283

IUPACN-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H18FN3O4S/c1-11(25-14-5-3-2-4-13(14)18)16(23)21-20-15(22)6-8-19-17(24)12-7-9-26-10-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyCORGIXOFOZUNGU-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.62
Rot. Bonds7

About N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 43017283) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID43017283
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C17H18FN3O4S/c1-11(25-14-5-3-2-4-13(14)18)16(23)21-20-15(22)6-8-19-17(24)12-7-9-26-10-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,24)(H,20,22)(H,21,23)
InChIKeyCORGIXOFOZUNGU-UHFFFAOYSA-N
XLogP1.62
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18143916
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 7910846
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-methylthiourea
CID 8767721
(2S)-2-(2-fluorophenoxy)-N'-[3-(3,4,5-trimethoxyphenyl)propanoyl]propanehydrazide
CID 7910894
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
(2R)-N'-[2-(4-bromophenyl)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7910909
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343
N'-[3-(2,4-dichlorophenyl)propanoyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46569105

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide (CID 43017283) is N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is CC(Oc1ccccc1F)C(=O)NNC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is CORGIXOFOZUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-11(25-14-5-3-2-4-13(14)18)16(23)21-20-15(22)6-8-19-17(24)12-7-9-26-10-12/h2-5,7,9-11H,6,8H2,1H3,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 379.41 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 43017283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).