N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide

C17H21NO5S — CID 8961027

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCSCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H21NO5S/c1-20-14-9-12(10-15(21-2)16(14)22-3)17(19)18-6-8-24-11-13-5-4-7-23-13/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,19)
InChIKeyVUEVQMJJNDXONB-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.97
Rot. Bonds9

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 8961027) has the molecular formula C17H21NO5S and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID8961027
Molecular FormulaC17H21NO5S
Molecular Weight351.42 g/mol
Exact Mass351.11
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCSCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C17H21NO5S/c1-20-14-9-12(10-15(21-2)16(14)22-3)17(19)18-6-8-24-11-13-5-4-7-23-13/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,19)
InChIKeyVUEVQMJJNDXONB-UHFFFAOYSA-N
XLogP2.97
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide 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

3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 18113780
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 17484047
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6297086
N-[2-(furan-2-yl)ethyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18111345
methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
3,4,5-trimethoxy-N-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 27708107
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide (CID 8961027) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCSCc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is VUEVQMJJNDXONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5S/c1-20-14-9-12(10-15(21-2)16(14)22-3)17(19)18-6-8-24-11-13-5-4-7-23-13/h4-5,7,9-10H,6,8,11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 351.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 8961027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).