(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide

C14H13BrN2O2S — CID 6345926

IUPAC(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2O2S/c1-9(11-7-8-12(15)20-11)16-17-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,17,19)/b16-9-/t13-/m0/s1
InChIKeyPLNIGZYUGDDBPJ-LWLPBDFMSA-N
MW353.24 g/mol
LogP3.08
Rot. Bonds4

About (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide

(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 6345926) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID6345926
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide
SMILESC/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Br)s1
InChIInChI=1S/C14H13BrN2O2S/c1-9(11-7-8-12(15)20-11)16-17-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,17,19)/b16-9-/t13-/m0/s1
InChIKeyPLNIGZYUGDDBPJ-LWLPBDFMSA-N
XLogP3.08
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.08
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

N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxybenzamide
CID 5409813
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-4-methylbenzamide
CID 6306205
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
2-hydroxy-N-(pentan-3-ylideneamino)-2-phenylacetamide
CID 3532425
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9025434
2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
CID 3097259
(2S)-N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6341466
2-hydroxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]-2-phenylacetamide
CID 5013172
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide (CID 6345926) is (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide is C/C(=N/NC(=O)[C@@H](O)c1ccccc1)c1ccc(Br)s1.
What is the InChIKey of (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is PLNIGZYUGDDBPJ-LWLPBDFMSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-9(11-7-8-12(15)20-11)16-17-14(19)13(18)10-5-3-2-4-6-10/h2-8,13,18H,1H3,(H,17,19)/b16-9-/t13-/m0/s1.
What are the key properties of (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 353.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 6345926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).