N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C16H24N2O4S — CID 25162641

IUPACN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O4S/c1-11-9-18(10-12(2)22-11)16(20)13(6-8-23-3)17-15(19)14-5-4-7-21-14/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,17,19)
InChIKeyBWBXWSUFAFGZAR-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 25162641) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID25162641
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O4S/c1-11-9-18(10-12(2)22-11)16(20)13(6-8-23-3)17-15(19)14-5-4-7-21-14/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,17,19)
InChIKeyBWBXWSUFAFGZAR-UHFFFAOYSA-N
XLogP1.77
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide 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-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 25162641) is N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is BWBXWSUFAFGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-11-9-18(10-12(2)22-11)16(20)13(6-8-23-3)17-15(19)14-5-4-7-21-14/h4-5,7,11-13H,6,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 25162641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).