3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide

C18H20N2O4S — CID 9496112

IUPAC3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12(25-16-7-5-4-6-8-16)17(21)19-20-18(22)13-9-14(23-2)11-15(10-13)24-3/h4-12H,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyRQCFYYYSPCEMOP-GFCCVEGCSA-N
MW360.44 g/mol
LogP2.65
Rot. Bonds6

About 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide

3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide (PubChem CID 9496112) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
PubChem CID9496112
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12(25-16-7-5-4-6-8-16)17(21)19-20-18(22)13-9-14(23-2)11-15(10-13)24-3/h4-12H,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1
InChIKeyRQCFYYYSPCEMOP-GFCCVEGCSA-N
XLogP2.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-phenylsulfanylpropanoyl]pyridine-4-carbohydrazide
CID 7678001
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
N'-[(2S)-2-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 8952897
3-nitro-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide
CID 9333588
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
1-[(4-methoxyphenyl)methyl]-3-[[(2R)-2-phenylsulfanylpropanoyl]amino]thiourea
CID 9478897
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[2-(4-methoxyphenyl)sulfanylpropanoyl]benzohydrazide
CID 55833566
3-hydroxy-N'-[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]benzohydrazide
CID 41141971
N'-[(2S)-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanoyl]benzohydrazide
CID 9059598

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide (CID 9496112) is 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)[C@@H](C)Sc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
The InChIKey is RQCFYYYSPCEMOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(25-16-7-5-4-6-8-16)17(21)19-20-18(22)13-9-14(23-2)11-15(10-13)24-3/h4-12H,1-3H3,(H,19,21)(H,20,22)/t12-/m1/s1.
What are the key properties of 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide?
3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide has a molecular weight of 360.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N'-[(2R)-2-phenylsulfanylpropanoyl]benzohydrazide is sourced from PubChem (CID 9496112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).