2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide

C15H18N4O3S — CID 47055077

IUPAC2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
SMILESCOc1ccc(SC(C)C(=O)NNc2nccc(OC)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-10(23-12-6-4-11(21-2)5-7-12)14(20)18-19-15-16-9-8-13(17-15)22-3/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyLBECLMUGUKFNMF-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.12
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide

2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide (PubChem CID 47055077) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
PubChem CID47055077
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide
SMILESCOc1ccc(SC(C)C(=O)NNc2nccc(OC)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-10(23-12-6-4-11(21-2)5-7-12)14(20)18-19-15-16-9-8-13(17-15)22-3/h4-10H,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyLBECLMUGUKFNMF-UHFFFAOYSA-N
XLogP2.12
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
(2S)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]propanoic acid
CID 119238130
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
N'-(4-methoxypyrimidin-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanehydrazide
CID 60509664
N-(2-aminoethyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 119382103
2-(4-methoxyphenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 132760074
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2R)-2-[2-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylbutanoic acid
CID 119368545
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]propanamide
CID 51964849
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
N-(2-amino-2-methylpropyl)-2-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119625878

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide (CID 47055077) is 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide is COc1ccc(SC(C)C(=O)NNc2nccc(OC)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
The InChIKey is LBECLMUGUKFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(23-12-6-4-11(21-2)5-7-12)14(20)18-19-15-16-9-8-13(17-15)22-3/h4-10H,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide?
2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide has a molecular weight of 334.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N'-(4-methoxypyrimidin-2-yl)propanehydrazide is sourced from PubChem (CID 47055077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).