N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide

C14H15N3O2S — CID 79808144

IUPACN-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H15N3O2S/c1-9-7-20-8-11(9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h2-8,12,19H,1H3,(H2,15,17)(H,16,18)
InChIKeyLJHCKHQOVRJQEH-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.27
Rot. Bonds4

About N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide

N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide (PubChem CID 79808144) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
PubChem CID79808144
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NC(C(N)=NO)c1ccccc1
InChIInChI=1S/C14H15N3O2S/c1-9-7-20-8-11(9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h2-8,12,19H,1H3,(H2,15,17)(H,16,18)
InChIKeyLJHCKHQOVRJQEH-UHFFFAOYSA-N
XLogP2.27
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiadiazole-5-carboxamide
CID 77059315
N-[(2E)-2-amino-2-hydroxyimino-1-phenylethyl]-5-bromothiophene-3-carboxamide
CID 107965133
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 76983689
N-[(2Z)-2-amino-2-hydroxyimino-1-phenylethyl]-1-methylimidazole-4-carboxamide
CID 107974192
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-methylthiophene-3-carboxamide
CID 79802281
(2R)-4-amino-2-[(4-methylthiophene-3-carbonyl)amino]-4-oxobutanoic acid
CID 107821224
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-fluoro-3-methylbenzamide
CID 81481274
N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
CID 76978921
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
(2R)-4-hydroxy-2-[(4-methylthiophene-3-carbonyl)amino]butanoic acid
CID 107823187

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide (CID 79808144) is N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NC(C(N)=NO)c1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is LJHCKHQOVRJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-7-20-8-11(9)14(18)16-12(13(15)17-19)10-5-3-2-4-6-10/h2-8,12,19H,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide?
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79808144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).