N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide

C14H20ClN3O2S — CID 103404961

IUPACN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=NO)C2CCCCC2)c1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-8-7-21-12(10(8)15)14(19)17-11(13(16)18-20)9-5-3-2-4-6-9/h7,9,11,20H,2-6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHWXMZUUKXMOMPT-UHFFFAOYSA-N
MW329.85 g/mol
LogP3.14
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide

N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide (PubChem CID 103404961) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
PubChem CID103404961
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC NameN-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NC(C(N)=NO)C2CCCCC2)c1Cl
InChIInChI=1S/C14H20ClN3O2S/c1-8-7-21-12(10(8)15)14(19)17-11(13(16)18-20)9-5-3-2-4-6-9/h7,9,11,20H,2-6H2,1H3,(H2,16,18)(H,17,19)
InChIKeyHWXMZUUKXMOMPT-UHFFFAOYSA-N
XLogP3.14
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide (CID 103404961) is N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NC(C(N)=NO)C2CCCCC2)c1Cl.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
The InChIKey is HWXMZUUKXMOMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-8-7-21-12(10(8)15)14(19)17-11(13(16)18-20)9-5-3-2-4-6-9/h7,9,11,20H,2-6H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide?
N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide has a molecular weight of 329.85 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-hydroxyiminoethyl)-3-chloro-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103404961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).