N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide

C15H16N2O2S2 — CID 4792986

IUPACN'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCCSc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-14(16-17-15(19)13-8-4-11-21-13)9-5-10-20-12-6-2-1-3-7-12/h1-4,6-8,11H,5,9-10H2,(H,16,18)(H,17,19)
InChIKeyFOKSUKRWCLEWGZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.08
Rot. Bonds6

About N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide

N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide (PubChem CID 4792986) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
PubChem CID4792986
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCCSc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-14(16-17-15(19)13-8-4-11-21-13)9-5-10-20-12-6-2-1-3-7-12/h1-4,6-8,11H,5,9-10H2,(H,16,18)(H,17,19)
InChIKeyFOKSUKRWCLEWGZ-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-benzoylthiophene-2-carbohydrazide
CID 790437
Thiophene-2-carbohydrazide
CID 73098
N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922960
N'-(2-fluorobenzoyl)-3-methylthiophene-2-carbohydrazide
CID 2511029
Thiophene-2-carbohydrazide, N2-(diphenylacetyl)-
CID 574179
2-Thiophenecarboxylic acid, 2-hexadecylhydrazide
CID 139035087
N''-butylthiophene-2-carbohydrazide
CID 142329690
2-Fluoro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793919
4-Fluoro-benzoic acid N'-(2-thiophen-2-yl-acetyl)-hydrazide
CID 772328
N'-[(Tert-butoxy)carbonyl]thiophene-2-carbohydrazide
CID 16193298
N'-(3-fluorobenzoyl)thiophene-2-carbohydrazide
CID 793920
N'-[(4-methylphenyl)carbonyl]thiophene-2-carbohydrazide
CID 809165

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide (CID 4792986) is N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide is O=C(CCCSc1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide?
The InChIKey is FOKSUKRWCLEWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-14(16-17-15(19)13-8-4-11-21-13)9-5-10-20-12-6-2-1-3-7-12/h1-4,6-8,11H,5,9-10H2,(H,16,18)(H,17,19).
What are the key properties of N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide?
N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide has a molecular weight of 320.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 4792986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).