4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide

C16H17FN2O2S2 — CID 9417913

IUPAC4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CSc2ccccc2F)sc1C
InChIInChI=1S/C16H17FN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyINKYPAHFCSGSTD-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.31
Rot. Bonds5

About 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide

4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 9417913) has the molecular formula C16H17FN2O2S2 and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
PubChem CID9417913
Molecular FormulaC16H17FN2O2S2
Molecular Weight352.46 g/mol
Exact Mass352.07
IUPAC Name4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide
SMILESCCc1cc(C(=O)NNC(=O)CSc2ccccc2F)sc1C
InChIInChI=1S/C16H17FN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyINKYPAHFCSGSTD-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.31
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

N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26854197
N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-benzhydryl-4-ethyl-5-methylthiophene-2-carboxamide
CID 7536278
4-bromo-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 2591603
2-(3,5-dimethylphenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 7969743
N'-[2-(2-fluorophenyl)sulfanylacetyl]furan-3-carbohydrazide
CID 27006547
(2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-phenylacetic acid
CID 103804649
N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418338
5-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]-2-methylbenzenesulfonamide
CID 9091346
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methyl-4-nitrobenzohydrazide
CID 7969929
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-(3-methoxyphenyl)acetohydrazide
CID 18162327

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide (CID 9417913) is 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide is CCc1cc(C(=O)NNC(=O)CSc2ccccc2F)sc1C.
What is the InChIKey of 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is INKYPAHFCSGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S2/c1-3-11-8-14(23-10(11)2)16(21)19-18-15(20)9-22-13-7-5-4-6-12(13)17/h4-8H,3,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide?
4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 352.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 9417913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).