N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide

C14H15N3O3S — CID 63582844

IUPACN-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9(18)16-10-2-5-12(6-3-10)21-8-11-4-7-13(20-11)14(19)17-15/h2-7H,8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyMALVQOOSLXOFJL-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.13
Rot. Bonds5

About N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide

N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide (PubChem CID 63582844) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
PubChem CID63582844
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2ccc(C(=O)NN)o2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9(18)16-10-2-5-12(6-3-10)21-8-11-4-7-13(20-11)14(19)17-15/h2-7H,8,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyMALVQOOSLXOFJL-UHFFFAOYSA-N
XLogP2.13
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
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-[(4-chlorophenyl)sulfanylmethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 2804180
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
[4-[[5-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl] thiocyanate
CID 2985076
N-[4-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]acetamide
CID 18209765
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
4-[(4-acetamidophenyl)sulfanylmethyl]benzamide
CID 27355031
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-[(4-acetamidophenyl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
CID 43620880
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
5-[(4-propan-2-ylphenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 22680377
5-[(4-bromophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 20992888

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide (CID 63582844) is N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2ccc(C(=O)NN)o2)cc1.
What is the InChIKey of N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide?
The InChIKey is MALVQOOSLXOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(18)16-10-2-5-12(6-3-10)21-8-11-4-7-13(20-11)14(19)17-15/h2-7H,8,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide?
N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(hydrazinecarbonyl)furan-2-yl]methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 63582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).