N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide

C14H13N3O3S — CID 3108601

IUPACN-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-4-6-10(7-5-9)15-13(19)14(20)17-16-12(18)11-3-2-8-21-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBKXVMHFLEDGORV-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.46
Rot. Bonds2

About N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide

N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide (PubChem CID 3108601) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
PubChem CID3108601
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1
InChIInChI=1S/C14H13N3O3S/c1-9-4-6-10(7-5-9)15-13(19)14(20)17-16-12(18)11-3-2-8-21-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20)
InChIKeyBKXVMHFLEDGORV-UHFFFAOYSA-N
XLogP1.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide (CID 3108601) is N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide is Cc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
The InChIKey is BKXVMHFLEDGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-4-6-10(7-5-9)15-13(19)14(20)17-16-12(18)11-3-2-8-21-11/h2-8H,1H3,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide?
N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide has a molecular weight of 303.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]acetamide is sourced from PubChem (CID 3108601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).