5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide

C16H18N2O2S — CID 765465

IUPAC5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide
SMILESCc1cc(C(=O)N(NC(=O)C(C)C)c2ccccc2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11(2)15(19)17-18(14-7-5-4-6-8-14)16(20)13-9-12(3)21-10-13/h4-11H,1-3H3,(H,17,19)
InChIKeyYUDZQYAZAWXVKP-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.39
Rot. Bonds3

About 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide

5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide (PubChem CID 765465) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide
PubChem CID765465
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide
SMILESCc1cc(C(=O)N(NC(=O)C(C)C)c2ccccc2)cs1
InChIInChI=1S/C16H18N2O2S/c1-11(2)15(19)17-18(14-7-5-4-6-8-14)16(20)13-9-12(3)21-10-13/h4-11H,1-3H3,(H,17,19)
InChIKeyYUDZQYAZAWXVKP-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide (CID 765465) is 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide is Cc1cc(C(=O)N(NC(=O)C(C)C)c2ccccc2)cs1.
What is the InChIKey of 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide?
The InChIKey is YUDZQYAZAWXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11(2)15(19)17-18(14-7-5-4-6-8-14)16(20)13-9-12(3)21-10-13/h4-11H,1-3H3,(H,17,19).
What are the key properties of 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide?
5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide has a molecular weight of 302.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(2-methylpropanoyl)-N-phenylthiophene-3-carbohydrazide is sourced from PubChem (CID 765465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).