N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

C15H14ClN3O2S — CID 6049093

IUPACN-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(11-4-6-12(16)7-5-11)18-19-14(20)9-17-15(21)13-3-2-8-22-13/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10-
InChIKeyCFNOJUJIMQDXCO-ZDLGFXPLSA-N
MW335.82 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 6049093) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID6049093
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC NameN-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2S/c1-10(11-4-6-12(16)7-5-11)18-19-14(20)9-17-15(21)13-3-2-8-22-13/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10-
InChIKeyCFNOJUJIMQDXCO-ZDLGFXPLSA-N
XLogP2.67
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide (CID 6049093) is N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is C/C(=N/NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CFNOJUJIMQDXCO-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-10(11-4-6-12(16)7-5-11)18-19-14(20)9-17-15(21)13-3-2-8-22-13/h2-8H,9H2,1H3,(H,17,21)(H,19,20)/b18-10-.
What are the key properties of N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 335.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 6049093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).