N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide

C16H15ClN4O3S — CID 2000300

IUPACN-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
SMILESC=C(NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4O3S/c1-9(13-7-8-14(17)25-13)20-21-16(24)15(23)19-12-5-3-11(4-6-12)18-10(2)22/h3-8,20H,1H2,2H3,(H,18,22)(H,19,23)(H,21,24)
InChIKeyVDFUENOZUHJYGM-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.59
Rot. Bonds5

About N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide

N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide (PubChem CID 2000300) has the molecular formula C16H15ClN4O3S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
PubChem CID2000300
Molecular FormulaC16H15ClN4O3S
Molecular Weight378.84 g/mol
Exact Mass378.06
IUPAC NameN-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide
SMILESC=C(NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C16H15ClN4O3S/c1-9(13-7-8-14(17)25-13)20-21-16(24)15(23)19-12-5-3-11(4-6-12)18-10(2)22/h3-8,20H,1H2,2H3,(H,18,22)(H,19,23)(H,21,24)
InChIKeyVDFUENOZUHJYGM-UHFFFAOYSA-N
XLogP2.59
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide (CID 2000300) is N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide is C=C(NNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
The InChIKey is VDFUENOZUHJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3S/c1-9(13-7-8-14(17)25-13)20-21-16(24)15(23)19-12-5-3-11(4-6-12)18-10(2)22/h3-8,20H,1H2,2H3,(H,18,22)(H,19,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide?
N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 378.84 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-[1-(5-chlorothiophen-2-yl)ethenyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 2000300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).