N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide

C16H24ClN3O2S — CID 134064794

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H24ClN3O2S/c1-19(2)7-10-23-12-16(21)18-14-11-13(17)3-4-15(14)20-5-8-22-9-6-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)
InChIKeyNAYNARQHENVKCS-UHFFFAOYSA-N
MW357.91 g/mol
LogP2.41
Rot. Bonds7

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide (PubChem CID 134064794) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
PubChem CID134064794
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
SMILESCN(C)CCSCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C16H24ClN3O2S/c1-19(2)7-10-23-12-16(21)18-14-11-13(17)3-4-15(14)20-5-8-22-9-6-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21)
InChIKeyNAYNARQHENVKCS-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide 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

2-[2-(azepan-1-yl)ethylsulfanyl]-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 134064781
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(5-chloro-2-methylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide
CID 134064494
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 18081333
(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
CID 16777669
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 53338622
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 4287113
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3525490

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide (CID 134064794) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide is CN(C)CCSCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
The InChIKey is NAYNARQHENVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2S/c1-19(2)7-10-23-12-16(21)18-14-11-13(17)3-4-15(14)20-5-8-22-9-6-20/h3-4,11H,5-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide has a molecular weight of 357.91 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-[2-(dimethylamino)ethylsulfanyl]acetamide is sourced from PubChem (CID 134064794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).