3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

C18H20N2O4S — CID 26616798

IUPAC3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12-4-6-16(7-5-12)25-11-17(21)19-20-18(22)13-8-14(23-2)10-15(9-13)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJSUNMZMRFJJSS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.57
Rot. Bonds6

About 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 26616798) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID26616798
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(C)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12-4-6-16(7-5-12)25-11-17(21)19-20-18(22)13-8-14(23-2)10-15(9-13)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyYJSUNMZMRFJJSS-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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

3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 24642949
(E)-3-(3,5-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]prop-2-enehydrazide
CID 9091381
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
2-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7979806
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
3-(4-methylphenoxy)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 18273997
N-[3-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31469976

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (CID 26616798) is 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)CSc2ccc(C)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is YJSUNMZMRFJJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12-4-6-16(7-5-12)25-11-17(21)19-20-18(22)13-8-14(23-2)10-15(9-13)24-3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 360.44 g/mol, XLogP of 2.57, 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'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 26616798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).