3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

C17H18N2O4S — CID 3283240

IUPAC3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4S/c1-22-14-9-8-12(10-15(14)23-2)17(21)19-18-16(20)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLYCRRVCHJQBPBC-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.26
Rot. Bonds6

About 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide

3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (PubChem CID 3283240) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.

Molecular Properties

Compound Name3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
PubChem CID3283240
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4S/c1-22-14-9-8-12(10-15(14)23-2)17(21)19-18-16(20)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLYCRRVCHJQBPBC-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.26
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-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 7970230
N'-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3,4-dimethoxybenzohydrazide
CID 41091013
3,4-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 1107941
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
4-butoxy-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9417984
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
N'-[2-(2-methoxyphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 1047417
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
methyl 2-[[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoate
CID 23097910

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The IUPAC name of 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide (CID 3283240) is 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide.
What is the SMILES notation for 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The canonical SMILES for 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is COc1ccc(C(=O)NNC(=O)CSc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
The InChIKey is LYCRRVCHJQBPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-14-9-8-12(10-15(14)23-2)17(21)19-18-16(20)11-24-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide?
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide has a molecular weight of 346.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide is sourced from PubChem (CID 3283240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).