N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide

C14H14N2O2S2 — CID 9479389

IUPACN'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCSc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S2/c17-13(8-10-19-11-5-2-1-3-6-11)15-16-14(18)12-7-4-9-20-12/h1-7,9H,8,10H2,(H,15,17)(H,16,18)
InChIKeyWEHWRNBHIPRDBO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.69
Rot. Bonds5

About N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide

N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide (PubChem CID 9479389) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
PubChem CID9479389
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC NameN'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide
SMILESO=C(CCSc1ccccc1)NNC(=O)c1cccs1
InChIInChI=1S/C14H14N2O2S2/c17-13(8-10-19-11-5-2-1-3-6-11)15-16-14(18)12-7-4-9-20-12/h1-7,9H,8,10H2,(H,15,17)(H,16,18)
InChIKeyWEHWRNBHIPRDBO-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 2531583
3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 3828723
N-[2-[[4-(3-phenylsulfanylpropanoylamino)benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062981
N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]thiophene-2-carboxamide
CID 26444525
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N'-acetyl-3-phenylsulfanylpropanehydrazide
CID 30905937
5-bromo-N'-(4-phenylsulfanylbutanoyl)thiophene-2-carbohydrazide
CID 4847342
N'-[(2S)-2-phenyl-2-phenylsulfanylacetyl]thiophene-2-carbohydrazide
CID 7600839
N'-[2-(2-aminoethylsulfanyl)acetyl]thiophene-2-carbohydrazide
CID 43249305
N'-[2-(4-chlorophenyl)acetyl]thiophene-2-carbohydrazide
CID 809192
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide (CID 9479389) is N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide is O=C(CCSc1ccccc1)NNC(=O)c1cccs1.
What is the InChIKey of N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide?
The InChIKey is WEHWRNBHIPRDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-13(8-10-19-11-5-2-1-3-6-11)15-16-14(18)12-7-4-9-20-12/h1-7,9H,8,10H2,(H,15,17)(H,16,18).
What are the key properties of N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide?
N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide has a molecular weight of 306.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenylsulfanylpropanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9479389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).