N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide

C23H23N3O4S — CID 30376532

IUPACN'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-3-14-30-19-12-11-16(15-20(19)29-2)21(27)25-26-22(28)18-10-7-13-24-23(18)31-17-8-5-4-6-9-17/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRCTRVUHAJKDZMA-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.11
Rot. Bonds8

About N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide

N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide (PubChem CID 30376532) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide
PubChem CID30376532
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)cc1OC
InChIInChI=1S/C23H23N3O4S/c1-3-14-30-19-12-11-16(15-20(19)29-2)21(27)25-26-22(28)18-10-7-13-24-23(18)31-17-8-5-4-6-9-17/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRCTRVUHAJKDZMA-UHFFFAOYSA-N
XLogP4.11
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
3-methoxy-N'-[2-(4-phenylphenyl)acetyl]-4-propoxybenzohydrazide
CID 25443034
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
4-butoxy-3-methoxy-N'-(2-phenylsulfanylpropanoyl)benzohydrazide
CID 24553439
N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide (CID 30376532) is N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cccnc2Sc2ccccc2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
The InChIKey is RCTRVUHAJKDZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-3-14-30-19-12-11-16(15-20(19)29-2)21(27)25-26-22(28)18-10-7-13-24-23(18)31-17-8-5-4-6-9-17/h4-13,15H,3,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide?
N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide has a molecular weight of 437.52 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-propoxybenzoyl)-2-phenylsulfanylpyridine-3-carbohydrazide is sourced from PubChem (CID 30376532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).