3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide

C18H20N2O4S — CID 7479678

IUPAC3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CSC)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-15-8-14(9-16(10-15)24-2)18(22)20-19-17(21)13-6-4-12(5-7-13)11-25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRMWQREAYTDNEQL-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.64
Rot. Bonds6

About 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide

3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide (PubChem CID 7479678) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
PubChem CID7479678
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CSC)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-23-15-8-14(9-16(10-15)24-2)18(22)20-19-17(21)13-6-4-12(5-7-13)11-25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyRMWQREAYTDNEQL-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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'-(4-ethoxybenzoyl)-4-(methylsulfanylmethyl)benzohydrazide
CID 7979451
1-[[4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9328543
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 9477750
N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]-4-(methylsulfanylmethyl)benzohydrazide
CID 24535754
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
methyl 2-[4-[[(3,5-dimethoxybenzoyl)amino]carbamothioylamino]phenyl]acetate
CID 4014323
N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
CID 112550855
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide (CID 7479678) is 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CSC)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide?
The InChIKey is RMWQREAYTDNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-15-8-14(9-16(10-15)24-2)18(22)20-19-17(21)13-6-4-12(5-7-13)11-25-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide?
3,5-dimethoxy-N'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide has a molecular weight of 360.44 g/mol, XLogP of 2.64, 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'-[4-(methylsulfanylmethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 7479678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).