N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide

C16H25N3O2S — CID 2119422

IUPACN-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESCSc1ccccc1NC(=O)CNCCCN1CCOCC1
InChIInChI=1S/C16H25N3O2S/c1-22-15-6-3-2-5-14(15)18-16(20)13-17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20)
InChIKeyKCCLPHBFLMBBMO-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.66
Rot. Bonds8

About N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide

N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide (PubChem CID 2119422) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
PubChem CID2119422
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide
SMILESCSc1ccccc1NC(=O)CNCCCN1CCOCC1
InChIInChI=1S/C16H25N3O2S/c1-22-15-6-3-2-5-14(15)18-16(20)13-17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20)
InChIKeyKCCLPHBFLMBBMO-UHFFFAOYSA-N
XLogP1.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide 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-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide (CID 2119422) is N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide is CSc1ccccc1NC(=O)CNCCCN1CCOCC1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
The InChIKey is KCCLPHBFLMBBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-22-15-6-3-2-5-14(15)18-16(20)13-17-7-4-8-19-9-11-21-12-10-19/h2-3,5-6,17H,4,7-13H2,1H3,(H,18,20).
What are the key properties of N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide?
N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide has a molecular weight of 323.46 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-(3-morpholin-4-ylpropylamino)acetamide is sourced from PubChem (CID 2119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).