Skip to content

2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

C18H25ClN2O3S — CID 25161959

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H25ClN2O3S/c1-12-10-21(11-13(2)24-12)18(23)16(8-9-25-3)20-17(22)14-6-4-5-7-15(14)19/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22)
InChIKeyJYQRAOVQVWWAHK-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.83
Rot. Bonds6

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

2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (PubChem CID 25161959) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
PubChem CID25161959
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C18H25ClN2O3S/c1-12-10-21(11-13(2)24-12)18(23)16(8-9-25-3)20-17(22)14-6-4-5-7-15(14)19/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22)
InChIKeyJYQRAOVQVWWAHK-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]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 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide (CID 25161959) is 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
The InChIKey is JYQRAOVQVWWAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-12-10-21(11-13(2)24-12)18(23)16(8-9-25-3)20-17(22)14-6-4-5-7-15(14)19/h4-7,12-13,16H,8-11H2,1-3H3,(H,20,22).
What are the key properties of 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide?
2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide has a molecular weight of 384.93 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,6-dimethylmorpholin-4-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25161959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.