N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide

C18H19ClN2O3S — CID 55647951

IUPACN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
SMILESCC(OCc1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13(24-11-14-5-3-2-4-6-14)18(23)21-20-17(22)12-25-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDDKUVOUGATXJS-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.18
Rot. Bonds7

About N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide

N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide (PubChem CID 55647951) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
PubChem CID55647951
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide
SMILESCC(OCc1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-13(24-11-14-5-3-2-4-6-14)18(23)21-20-17(22)12-25-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDDKUVOUGATXJS-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.18
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

2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
CID 86983287
(2S)-2-(2-fluorophenoxy)-N'-[2-(4-fluorophenyl)sulfanylacetyl]propanehydrazide
CID 7910833
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78778091
N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
2-(4-chlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 802169
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-hydroxybenzohydrazide
CID 35515360
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
2-chloro-N-[1-[2-[2-(4-methylphenyl)sulfanylacetyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18285174
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43404111

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide (CID 55647951) is N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide is CC(OCc1ccccc1)C(=O)NNC(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide?
The InChIKey is QDDKUVOUGATXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-13(24-11-14-5-3-2-4-6-14)18(23)21-20-17(22)12-25-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide?
N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide has a molecular weight of 378.88 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)sulfanylacetyl]-2-phenylmethoxypropanehydrazide is sourced from PubChem (CID 55647951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).