N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide

C15H20FN3O3S — CID 7969798

IUPACN-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=O)CSc1ccccc1F)C(C)C
InChIInChI=1S/C15H20FN3O3S/c1-9(2)14(17-10(3)20)15(22)19-18-13(21)8-23-12-7-5-4-6-11(12)16/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyDMNHSAWPHGHPGN-AWEZNQCLSA-N
MW341.41 g/mol
LogP1.23
Rot. Bonds6

About N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide

N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 7969798) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID7969798
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC NameN-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)N[C@H](C(=O)NNC(=O)CSc1ccccc1F)C(C)C
InChIInChI=1S/C15H20FN3O3S/c1-9(2)14(17-10(3)20)15(22)19-18-13(21)8-23-12-7-5-4-6-11(12)16/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyDMNHSAWPHGHPGN-AWEZNQCLSA-N
XLogP1.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.23
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 7969798) is N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)N[C@H](C(=O)NNC(=O)CSc1ccccc1F)C(C)C.
What is the InChIKey of N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is DMNHSAWPHGHPGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-9(2)14(17-10(3)20)15(22)19-18-13(21)8-23-12-7-5-4-6-11(12)16/h4-7,9,14H,8H2,1-3H3,(H,17,20)(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide?
N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-[2-(2-fluorophenyl)sulfanylacetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 7969798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).