3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide

C19H22N2O4S — CID 8621899

IUPAC3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(SC)cc2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4S/c1-12(2)25-16-10-7-14(11-17(16)24-3)19(23)21-20-18(22)13-5-8-15(26-4)9-6-13/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyNOCRMABLZKVASO-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.28
Rot. Bonds6

About 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 8621899) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
PubChem CID8621899
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccc(SC)cc2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4S/c1-12(2)25-16-10-7-14(11-17(16)24-3)19(23)21-20-18(22)13-5-8-15(26-4)9-6-13/h5-12H,1-4H3,(H,20,22)(H,21,23)
InChIKeyNOCRMABLZKVASO-UHFFFAOYSA-N
XLogP3.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.28
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'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 55543586
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 9160771
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 46671748
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methylpyrazine-2-carbohydrazide
CID 18266699

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide (CID 8621899) is 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2ccc(SC)cc2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is NOCRMABLZKVASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-12(2)25-16-10-7-14(11-17(16)24-3)19(23)21-20-18(22)13-5-8-15(26-4)9-6-13/h5-12H,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 8621899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).