(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

C18H21N3O2S — CID 7269525

IUPAC(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)N[C@@H](C)c1ccccc1)=N/NC(=O)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(20-21-18(23)12-16-9-6-10-24-16)11-17(22)19-14(2)15-7-4-3-5-8-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-/t14-/m0/s1
InChIKeyIZYSLNRHZXOVAN-DABDWFRDSA-N
MW343.45 g/mol
LogP3.05
Rot. Bonds7

About (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide

(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (PubChem CID 7269525) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
PubChem CID7269525
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
SMILESC/C(CC(=O)N[C@@H](C)c1ccccc1)=N/NC(=O)Cc1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(20-21-18(23)12-16-9-6-10-24-16)11-17(22)19-14(2)15-7-4-3-5-8-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-/t14-/m0/s1
InChIKeyIZYSLNRHZXOVAN-DABDWFRDSA-N
XLogP3.05
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide
CID 11835798
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048
3-(carbamothioylhydrazinylidene)-N-(1-phenylethyl)butanamide
CID 3130014
N-[1-(4-bromophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42999115
N-[(E)-1-(4-phenylphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 7462993
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-(2,5-dimethylphenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 3567082
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(1-phenylethyl)butanamide
CID 5202497
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]-2-thiophen-2-ylacetamide
CID 9295932
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
4-methoxy-N-[(Z)-[4-oxo-4-[[(1S)-1-phenylethyl]amino]butan-2-ylidene]amino]benzamide
CID 7269523

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The IUPAC name of (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide (CID 7269525) is (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is C/C(CC(=O)N[C@@H](C)c1ccccc1)=N/NC(=O)Cc1cccs1.
What is the InChIKey of (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
The InChIKey is IZYSLNRHZXOVAN-DABDWFRDSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(20-21-18(23)12-16-9-6-10-24-16)11-17(22)19-14(2)15-7-4-3-5-8-15/h3-10,14H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-/t14-/m0/s1.
What are the key properties of (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide?
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide has a molecular weight of 343.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 7269525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).