N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide

C11H17N3O2S — CID 76929157

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CC(N)=NO)s1
InChIInChI=1S/C11H17N3O2S/c1-3-8-5-6-9(17-8)11(15)14(4-2)7-10(12)13-16/h5-6,16H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyDRPJDDMNXKLGGV-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.52
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide (PubChem CID 76929157) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
PubChem CID76929157
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CC)CC(N)=NO)s1
InChIInChI=1S/C11H17N3O2S/c1-3-8-5-6-9(17-8)11(15)14(4-2)7-10(12)13-16/h5-6,16H,3-4,7H2,1-2H3,(H2,12,13)
InChIKeyDRPJDDMNXKLGGV-UHFFFAOYSA-N
XLogP1.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Related Compounds

2-[ethyl-(5-ethylthiophene-2-carbonyl)amino]acetic acid
CID 61021518
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
N-(3-amino-3-hydroxyiminopropyl)-5-ethylthiophene-2-carboxamide
CID 76952712
N-(1-amino-1-hydroxyiminopropan-2-yl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 76928227
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-5-ethylthiophene-2-carboxamide
CID 55102308
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
(3Z)-3-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxyiminopropanamide
CID 106014338
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-2,3-dimethylbenzamide
CID 76928775
2-[(5-ethylthiophene-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258299
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-5-iodothiophene-3-carboxamide
CID 79683911

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide (CID 76929157) is N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide is CCc1ccc(C(=O)N(CC)CC(N)=NO)s1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide?
The InChIKey is DRPJDDMNXKLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-8-5-6-9(17-8)11(15)14(4-2)7-10(12)13-16/h5-6,16H,3-4,7H2,1-2H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,5-diethylthiophene-2-carboxamide is sourced from PubChem (CID 76929157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).