N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide

C15H26N2O5S — CID 170195015

IUPACN-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide
SMILESCSOCC(=O)NCCOCC(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C15H26N2O5S/c1-11(18)12-3-5-13(6-4-12)17-15(20)9-21-8-7-16-14(19)10-22-23-2/h12-13H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPLKSWEIKEWNREA-UHFFFAOYSA-N
MW346.45 g/mol
LogP0.68
Rot. Bonds10

About N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide

N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide (PubChem CID 170195015) has the molecular formula C15H26N2O5S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide
PubChem CID170195015
Molecular FormulaC15H26N2O5S
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC NameN-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide
SMILESCSOCC(=O)NCCOCC(=O)NC1CCC(C(C)=O)CC1
InChIInChI=1S/C15H26N2O5S/c1-11(18)12-3-5-13(6-4-12)17-15(20)9-21-8-7-16-14(19)10-22-23-2/h12-13H,3-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPLKSWEIKEWNREA-UHFFFAOYSA-N
XLogP0.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylcyclohexyl)-3-[[4-(methylsulfanyloxymethyl)cyclohexyl]methoxy]propanamide
CID 170128889
4-[[2-(2-hydroxyethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 91018555
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
2-[2-(2-oxopropoxy)ethoxy]-N-[2-(2-oxopropoxy)ethyl]acetamide
CID 169276802
4-[[2-(2-aminoethoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 79473987
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
N-cycloheptyl-2-[2-(ethylamino)ethoxy]acetamide
CID 62575294
N-(oxan-4-yl)-2-[2-(propylamino)ethoxy]acetamide
CID 55182455
N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide?
The IUPAC name of N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide (CID 170195015) is N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide.
What is the SMILES notation for N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide?
The canonical SMILES for N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide is CSOCC(=O)NCCOCC(=O)NC1CCC(C(C)=O)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide?
The InChIKey is PLKSWEIKEWNREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5S/c1-11(18)12-3-5-13(6-4-12)17-15(20)9-21-8-7-16-14(19)10-22-23-2/h12-13H,3-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide?
N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide has a molecular weight of 346.45 g/mol, XLogP of 0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-2-[2-[(2-methylsulfanyloxyacetyl)amino]ethoxy]acetamide is sourced from PubChem (CID 170195015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).