2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

C18H27ClN2O2S — CID 55629070

IUPAC2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCC1CN(CCCNC(=O)CSCc2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C18H27ClN2O2S/c1-14-10-21(11-15(2)23-14)8-4-7-20-18(22)13-24-12-16-5-3-6-17(19)9-16/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,20,22)
InChIKeyHYEFLVGVWZJZBO-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.19
Rot. Bonds8

About 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide

2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (PubChem CID 55629070) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
PubChem CID55629070
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
SMILESCC1CN(CCCNC(=O)CSCc2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C18H27ClN2O2S/c1-14-10-21(11-15(2)23-14)8-4-7-20-18(22)13-24-12-16-5-3-6-17(19)9-16/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,20,22)
InChIKeyHYEFLVGVWZJZBO-UHFFFAOYSA-N
XLogP3.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylsulfanyl]-N-(3-piperazin-1-ylpropyl)acetamide
CID 119391216
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-hydroxyhexyl)acetamide
CID 103918794
4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43092004
6-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43238428
N-(3-aminobutyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide;hydrochloride
CID 119495488
2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55997245
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]acetamide
CID 86944860
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-hydroxybenzamide
CID 75451905
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-hydroxybenzamide
CID 97347364
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 119841025

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide (CID 55629070) is 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is CC1CN(CCCNC(=O)CSCc2cccc(Cl)c2)CC(C)O1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
The InChIKey is HYEFLVGVWZJZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c1-14-10-21(11-15(2)23-14)8-4-7-20-18(22)13-24-12-16-5-3-6-17(19)9-16/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide?
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide has a molecular weight of 370.95 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide is sourced from PubChem (CID 55629070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).