2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

C17H18FN3O3S — CID 7999523

IUPAC2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H18FN3O3S/c1-10(2)14(19-15(22)11-6-3-4-7-12(11)18)17(24)21-20-16(23)13-8-5-9-25-13/h3-10,14H,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyYBBWCJVUHWQUQJ-AWEZNQCLSA-N
MW363.41 g/mol
LogP2.10
Rot. Bonds5

About 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide

2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 7999523) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID7999523
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cccs1
InChIInChI=1S/C17H18FN3O3S/c1-10(2)14(19-15(22)11-6-3-4-7-12(11)18)17(24)21-20-16(23)13-8-5-9-25-13/h3-10,14H,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1
InChIKeyYBBWCJVUHWQUQJ-AWEZNQCLSA-N
XLogP2.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 7999523) is 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)c1cccs1.
What is the InChIKey of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is YBBWCJVUHWQUQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-10(2)14(19-15(22)11-6-3-4-7-12(11)18)17(24)21-20-16(23)13-8-5-9-25-13/h3-10,14H,1-2H3,(H,19,22)(H,20,23)(H,21,24)/t14-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide?
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 363.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 7999523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).