4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

C18H18F2N2O4S — CID 7970230

IUPAC4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4S/c1-11-3-6-13(7-4-11)27-10-16(23)21-22-17(24)12-5-8-14(26-18(19)20)15(9-12)25-2/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTZPWNHCGEAEKFY-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.16
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 7970230) has the molecular formula C18H18F2N2O4S and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID7970230
Molecular FormulaC18H18F2N2O4S
Molecular Weight396.42 g/mol
Exact Mass396.10
IUPAC Name4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)ccc1OC(F)F
InChIInChI=1S/C18H18F2N2O4S/c1-11-3-6-13(7-4-11)27-10-16(23)21-22-17(24)12-5-8-14(26-18(19)20)15(9-12)25-2/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyTZPWNHCGEAEKFY-UHFFFAOYSA-N
XLogP3.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.16
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

4-(difluoromethoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-methoxybenzohydrazide
CID 9418020
3,4-dimethoxy-N'-(2-phenylsulfanylacetyl)benzohydrazide
CID 3283240
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617
3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 24642949
N'-[2-(4-cyanophenoxy)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 7978485
N-[4-(difluoromethoxy)-3-methoxyphenyl]-4-methylbenzamide
CID 4865288
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-propan-2-ylthiourea
CID 7978091
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (CID 7970230) is 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is COc1cc(C(=O)NNC(=O)CSc2ccc(C)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is TZPWNHCGEAEKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O4S/c1-11-3-6-13(7-4-11)27-10-16(23)21-22-17(24)12-5-8-14(26-18(19)20)15(9-12)25-2/h3-9,18H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 396.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 7970230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).