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

C19H24N2O3S — CID 2287281

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2O3S/c22-19(20-7-13-25-15-18-2-1-10-24-18)17-5-3-16(4-6-17)14-21-8-11-23-12-9-21/h1-6,10H,7-9,11-15H2,(H,20,22)
InChIKeyLYGSFLOOLWYEHI-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.78
Rot. Bonds8

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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 2287281) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID2287281
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C19H24N2O3S/c22-19(20-7-13-25-15-18-2-1-10-24-18)17-5-3-16(4-6-17)14-21-8-11-23-12-9-21/h1-6,10H,7-9,11-15H2,(H,20,22)
InChIKeyLYGSFLOOLWYEHI-UHFFFAOYSA-N
XLogP2.78
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide (CID 2287281) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is O=C(NCCSCc1ccco1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is LYGSFLOOLWYEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c22-19(20-7-13-25-15-18-2-1-10-24-18)17-5-3-16(4-6-17)14-21-8-11-23-12-9-21/h1-6,10H,7-9,11-15H2,(H,20,22).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 360.48 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 2287281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).