3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide

C20H24N2O4S — CID 9160771

IUPAC3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(CSC)c2)ccc1OC(C)C
InChIInChI=1S/C20H24N2O4S/c1-13(2)26-17-9-8-16(11-18(17)25-3)20(24)22-21-19(23)15-7-5-6-14(10-15)12-27-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBFSBWSHNYXFBHB-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.42
Rot. Bonds7

About 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 9160771) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
PubChem CID9160771
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(CSC)c2)ccc1OC(C)C
InChIInChI=1S/C20H24N2O4S/c1-13(2)26-17-9-8-16(11-18(17)25-3)20(24)22-21-19(23)15-7-5-6-14(10-15)12-27-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyBFSBWSHNYXFBHB-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.42
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-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
3-methoxy-N'-[3-(2-methylpropoxy)benzoyl]-4-propan-2-yloxybenzohydrazide
CID 8621873
N'-(3-methoxy-4-propan-2-yloxybenzoyl)furan-2-carbohydrazide
CID 17489065
3-methoxy-N'-(3-phenylpropanoyl)-4-propan-2-yloxybenzohydrazide
CID 7972010
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(methylsulfanylmethyl)benzamide
CID 9261943
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8788698
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide (CID 9160771) is 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(CSC)c2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is BFSBWSHNYXFBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-13(2)26-17-9-8-16(11-18(17)25-3)20(24)22-21-19(23)15-7-5-6-14(10-15)12-27-4/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 388.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[3-(methylsulfanylmethyl)benzoyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 9160771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).