(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

C18H19FN2O3S — CID 9428457

IUPAC(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-3-9-16(10-4-12)25-13(2)18(23)21-20-17(22)11-24-15-7-5-14(19)6-8-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyCZRBXYPWECVLRT-ZDUSSCGKSA-N
MW362.43 g/mol
LogP2.84
Rot. Bonds6

About (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide

(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (PubChem CID 9428457) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
PubChem CID9428457
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide
SMILESCc1ccc(S[C@@H](C)C(=O)NNC(=O)COc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-12-3-9-16(10-4-12)25-13(2)18(23)21-20-17(22)11-24-15-7-5-14(19)6-8-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyCZRBXYPWECVLRT-ZDUSSCGKSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.84
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-[1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55341774
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
1-(4-fluorophenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 968555
[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9379100
(2R)-N'-[2-(4-bromophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 7964947
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 40611223
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
(2R)-2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 99999523
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide (CID 9428457) is (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is Cc1ccc(S[C@@H](C)C(=O)NNC(=O)COc2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
The InChIKey is CZRBXYPWECVLRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-12-3-9-16(10-4-12)25-13(2)18(23)21-20-17(22)11-24-15-7-5-14(19)6-8-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide?
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide has a molecular weight of 362.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(4-methylphenyl)sulfanylpropanehydrazide is sourced from PubChem (CID 9428457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).