4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide

C19H22F2N2O2S — CID 175099089

IUPAC4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide
SMILESCCN(NC)C(=O)c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H22F2N2O2S/c1-5-23(22-4)18(24)16-9-13(3)17(10-12(16)2)26-15-8-6-7-14(11-15)25-19(20)21/h6-11,19,22H,5H2,1-4H3
InChIKeyGIQHQCIMKAHFAD-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.65
Rot. Bonds7

About 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide

4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide (PubChem CID 175099089) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide.

Molecular Properties

Compound Name4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide
PubChem CID175099089
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC Name4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide
SMILESCCN(NC)C(=O)c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C
InChIInChI=1S/C19H22F2N2O2S/c1-5-23(22-4)18(24)16-9-13(3)17(10-12(16)2)26-15-8-6-7-14(11-15)25-19(20)21/h6-11,19,22H,5H2,1-4H3
InChIKeyGIQHQCIMKAHFAD-UHFFFAOYSA-N
XLogP4.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(difluoromethoxy)phenyl]sulfanyl-2,5-dimethylphenyl]-1-ethyl-1-methylguanidine
CID 175046320
ethyl 2-[3-(difluoromethoxy)phenyl]sulfanylacetate
CID 166669650
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]butanoic acid
CID 65060709
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
ethyl 2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetate
CID 117367197
3-(difluoromethoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500895
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
CID 18167097
3-[1-[3-(difluoromethoxy)phenyl]ethyl-ethylamino]propanoic acid
CID 65062861
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide?
The IUPAC name of 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide (CID 175099089) is 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide.
What is the SMILES notation for 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide?
The canonical SMILES for 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide is CCN(NC)C(=O)c1cc(C)c(Sc2cccc(OC(F)F)c2)cc1C.
What is the InChIKey of 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide?
The InChIKey is GIQHQCIMKAHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c1-5-23(22-4)18(24)16-9-13(3)17(10-12(16)2)26-15-8-6-7-14(11-15)25-19(20)21/h6-11,19,22H,5H2,1-4H3.
What are the key properties of 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide?
4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide has a molecular weight of 380.46 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethoxy)phenyl]sulfanyl-N-ethyl-N',2,5-trimethylbenzohydrazide is sourced from PubChem (CID 175099089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).