N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

C11H17N3O2S — CID 76928227

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)C(N)=NO)s1
InChIInChI=1S/C11H17N3O2S/c1-4-8-5-6-9(17-8)11(15)14(3)7(2)10(12)13-16/h5-7,16H,4H2,1-3H3,(H2,12,13)
InChIKeyJGALGYOTBTUUPE-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.52
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 76928227) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
PubChem CID76928227
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(C)C(C)C(N)=NO)s1
InChIInChI=1S/C11H17N3O2S/c1-4-8-5-6-9(17-8)11(15)14(3)7(2)10(12)13-16/h5-7,16H,4H2,1-3H3,(H2,12,13)
InChIKeyJGALGYOTBTUUPE-UHFFFAOYSA-N
XLogP1.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
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'}

Analyze N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-amino-4-sulfanylidenebutan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 63223103
N-(1-chloropropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 104555878
2-[(5-ethylthiophen-2-yl)sulfonyl-methylamino]-N'-hydroxypropanimidamide
CID 76928228
N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
CID 76929157
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylthiophene-2-carboxamide
CID 76928249
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,3-dimethylfuran-2-carboxamide
CID 76928329
1-(5-ethylthiophen-2-yl)-2-methylpropan-1-one
CID 43131948
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
N-(1-aminopropan-2-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 119584872

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide (CID 76928227) is N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is CCc1ccc(C(=O)N(C)C(C)C(N)=NO)s1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is JGALGYOTBTUUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-8-5-6-9(17-8)11(15)14(3)7(2)10(12)13-16/h5-7,16H,4H2,1-3H3,(H2,12,13).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 76928227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).