N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide

C16H19NO3S — CID 18113780

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCSCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-19-11-13-4-6-14(7-5-13)16(18)17-8-10-21-12-15-3-2-9-20-15/h2-7,9H,8,10-12H2,1H3,(H,17,18)
InChIKeyCFAGOAYTAFSAAT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.09
Rot. Bonds8

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 18113780) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
PubChem CID18113780
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCCSCc2ccco2)cc1
InChIInChI=1S/C16H19NO3S/c1-19-11-13-4-6-14(7-5-13)16(18)17-8-10-21-12-15-3-2-9-20-15/h2-7,9H,8,10-12H2,1H3,(H,17,18)
InChIKeyCFAGOAYTAFSAAT-UHFFFAOYSA-N
XLogP3.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18113853
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27824397
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
methyl 6-[2-(furan-2-ylmethylsulfanyl)ethylcarbamoyl]pyridine-3-carboxylate
CID 5009139
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126414861
4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 46375725
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-(methoxymethyl)benzamide
CID 103767369
4-(cyclopropylsulfamoyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18113864
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 38463251
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 17484047

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide (CID 18113780) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCCSCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is CFAGOAYTAFSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-19-11-13-4-6-14(7-5-13)16(18)17-8-10-21-12-15-3-2-9-20-15/h2-7,9H,8,10-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 305.40 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 18113780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).