N'-hexadecylthiophene-2-carbohydrazide

C21H38N2OS — CID 139035087

IUPACN'-hexadecylthiophene-2-carbohydrazide
SMILESCCCCCCCCCCCCCCCCNNC(=O)c1cccs1
InChIInChI=1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24)
InChIKeyHSHXDCVZWHOWCS-UHFFFAOYSA-N
MW366.62 g/mol
LogP6.46
Rot. Bonds17

About N'-hexadecylthiophene-2-carbohydrazide

N'-hexadecylthiophene-2-carbohydrazide (PubChem CID 139035087) has the molecular formula C21H38N2OS and a molecular weight of 366.62 g/mol. Its IUPAC name is N'-hexadecylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-hexadecylthiophene-2-carbohydrazide
PubChem CID139035087
Molecular FormulaC21H38N2OS
Molecular Weight366.62 g/mol
Exact Mass366.27
IUPAC NameN'-hexadecylthiophene-2-carbohydrazide
SMILESCCCCCCCCCCCCCCCCNNC(=O)c1cccs1
InChIInChI=1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24)
InChIKeyHSHXDCVZWHOWCS-UHFFFAOYSA-N
XLogP6.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-hexadecylthiophene-2-carbohydrazide?
The IUPAC name of N'-hexadecylthiophene-2-carbohydrazide (CID 139035087) is N'-hexadecylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-hexadecylthiophene-2-carbohydrazide?
The canonical SMILES for N'-hexadecylthiophene-2-carbohydrazide is CCCCCCCCCCCCCCCCNNC(=O)c1cccs1.
What is the InChIKey of N'-hexadecylthiophene-2-carbohydrazide?
The InChIKey is HSHXDCVZWHOWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-23-21(24)20-17-16-19-25-20/h16-17,19,22H,2-15,18H2,1H3,(H,23,24).
What are the key properties of N'-hexadecylthiophene-2-carbohydrazide?
N'-hexadecylthiophene-2-carbohydrazide has a molecular weight of 366.62 g/mol, XLogP of 6.46, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexadecylthiophene-2-carbohydrazide is sourced from PubChem (CID 139035087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).