N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

C20H30N2O3S — CID 55742331

IUPACN-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCCCN1CCOCC1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C20H30N2O3S/c23-20(21-9-3-4-10-22-11-14-24-15-12-22)18-7-1-2-8-19(18)26-16-17-6-5-13-25-17/h1-2,7-8,17H,3-6,9-16H2,(H,21,23)
InChIKeyXPJFMUMWOPMXCB-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.80
Rot. Bonds9

About N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide

N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 55742331) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID55742331
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCCCN1CCOCC1)c1ccccc1SCC1CCCO1
InChIInChI=1S/C20H30N2O3S/c23-20(21-9-3-4-10-22-11-14-24-15-12-22)18-7-1-2-8-19(18)26-16-17-6-5-13-25-17/h1-2,7-8,17H,3-6,9-16H2,(H,21,23)
InChIKeyXPJFMUMWOPMXCB-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide 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

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55715342
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56555213
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55842645
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[(4-methoxyphenyl)methyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9400725
2-(oxolan-2-ylmethylsulfanyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585692
2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide (CID 55742331) is N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is O=C(NCCCCN1CCOCC1)c1ccccc1SCC1CCCO1.
What is the InChIKey of N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is XPJFMUMWOPMXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-20(21-9-3-4-10-22-11-14-24-15-12-22)18-7-1-2-8-19(18)26-16-17-6-5-13-25-17/h1-2,7-8,17H,3-6,9-16H2,(H,21,23).
What are the key properties of N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide?
N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 378.54 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55742331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).