5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide

C13H14N2O3S — CID 63580433

IUPAC5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCOc1ccc(SCc2cc(C(=O)NN)co2)cc1
InChIInChI=1S/C13H14N2O3S/c1-17-10-2-4-12(5-3-10)19-8-11-6-9(7-18-11)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyFAXPPOAYXVQBDS-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.18
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide

5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide (PubChem CID 63580433) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
PubChem CID63580433
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
SMILESCOc1ccc(SCc2cc(C(=O)NN)co2)cc1
InChIInChI=1S/C13H14N2O3S/c1-17-10-2-4-12(5-3-10)19-8-11-6-9(7-18-11)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16)
InChIKeyFAXPPOAYXVQBDS-UHFFFAOYSA-N
XLogP2.18
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
CID 63584554
5-[(3-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 104591174
5-[(2-hydroxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63589044
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 55212906
5-[(4-amino-3-methylphenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79148453
4-[(4-methoxyphenyl)sulfanylmethyl]-1,3-dioxol-2-one
CID 21289554
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-3-carbohydrazide
CID 63736656
5-[(4-methoxyphenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416939
5-(2-aminobutylsulfanylmethyl)furan-3-carbohydrazide
CID 66231207

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide (CID 63580433) is 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide is COc1ccc(SCc2cc(C(=O)NN)co2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
The InChIKey is FAXPPOAYXVQBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-10-2-4-12(5-3-10)19-8-11-6-9(7-18-11)13(16)15-14/h2-7H,8,14H2,1H3,(H,15,16).
What are the key properties of 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide?
5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide has a molecular weight of 278.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).