N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C16H16FN3O4S — CID 7910846

IUPACN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16FN3O4S/c1-10(24-12-6-3-2-5-11(12)17)15(22)20-19-14(21)9-18-16(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyVPWCZMPIJVHRIP-SNVBAGLBSA-N
MW365.39 g/mol
LogP1.23
Rot. Bonds6

About N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 7910846) has the molecular formula C16H16FN3O4S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID7910846
Molecular FormulaC16H16FN3O4S
Molecular Weight365.39 g/mol
Exact Mass365.08
IUPAC NameN-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C16H16FN3O4S/c1-10(24-12-6-3-2-5-11(12)17)15(22)20-19-14(21)9-18-16(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyVPWCZMPIJVHRIP-SNVBAGLBSA-N
XLogP1.23
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.23
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-[2-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25490349
N-[2-[2-[(2S)-2-(4-ethoxyphenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
CID 9343261
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41410915
N-[(1S)-3-[2-[(2S)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 29432857
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
2-(2-fluorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 47102861
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227
4-chloro-N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 24546305
N'-[2-(2-methylphenoxy)propanoyl]thiophene-2-carbohydrazide
CID 4931633
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 46653812
N-[3-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 43017283
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]thiophene-2-carboxamide
CID 110698081

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 7910846) is N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VPWCZMPIJVHRIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16FN3O4S/c1-10(24-12-6-3-2-5-11(12)17)15(22)20-19-14(21)9-18-16(23)13-7-4-8-25-13/h2-8,10H,9H2,1H3,(H,18,23)(H,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2R)-2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7910846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).