N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide

C16H17N3O3S — CID 9479293

IUPACN-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyRFMLEDFWGOXHPT-CYBMUJFWSA-N
MW331.40 g/mol
LogP1.78
Rot. Bonds5

About N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide

N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide (PubChem CID 9479293) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
PubChem CID9479293
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t13-/m1/s1
InChIKeyRFMLEDFWGOXHPT-CYBMUJFWSA-N
XLogP1.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
(3R)-3-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 969744
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
CID 139072563
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132531
N-[3-oxo-1-phenyl-3-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]propyl]acetamide
CID 4791195
N-[3-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 134049284
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate
CID 43030544
N-(2-chloro-1-phenylethyl)thiophene-2-carboxamide
CID 114300019
N-[(1R)-3-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7799897
3-[ethyl-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]amino]butanoic acid
CID 62826028

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide (CID 9479293) is N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide.
What is the SMILES notation for N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The canonical SMILES for N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide is CC(=O)N[C@H](CC(=O)NNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
The InChIKey is RFMLEDFWGOXHPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(20)17-13(12-6-3-2-4-7-12)10-15(21)18-19-16(22)14-8-5-9-23-14/h2-9,13H,10H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t13-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide?
N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-1-phenyl-3-[2-(thiophene-2-carbonyl)hydrazinyl]propyl]acetamide is sourced from PubChem (CID 9479293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).