5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide

C16H17FN2O2S — CID 9140377

IUPAC5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10(2)9-15(20)18-19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAAXNYCRHRZSJQZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.36
Rot. Bonds4

About 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide

5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide (PubChem CID 9140377) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
PubChem CID9140377
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H17FN2O2S/c1-10(2)9-15(20)18-19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAAXNYCRHRZSJQZ-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N'-(3-thiophen-3-ylpropanoyl)thiophene-2-carbohydrazide
CID 30505197
5-(4-fluorophenyl)-N'-[2-(4-methylphenyl)-2-oxoacetyl]thiophene-2-carbohydrazide
CID 37214158
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
5-(4-fluorophenyl)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]thiophene-2-carbohydrazide
CID 26046075
N'-[5-(dithiolan-3-yl)pentanoyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 24644354
N'-[2-(1,1-dioxothiolan-3-yl)acetyl]-5-(4-fluorophenyl)thiophene-2-carbohydrazide
CID 55408907
1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9218538
5-(4-fluorophenyl)-N'-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]thiophene-2-carbohydrazide
CID 36682472
5-(4-fluorophenyl)-N'-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]thiophene-2-carbohydrazide
CID 24554183
5-(4-fluorophenyl)-N-[(1S)-1-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 92771361

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide (CID 9140377) is 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide is CC(C)CC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide?
The InChIKey is AAXNYCRHRZSJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-10(2)9-15(20)18-19-16(21)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide?
5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide has a molecular weight of 320.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-(3-methylbutanoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 9140377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).