N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide

C14H20ClNO2S — CID 2288180

IUPACN-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-14(2,3)19-9-8-16-13(17)10-18-12-6-4-11(15)5-7-12/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyZTSDOQNFEXRCSB-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.37
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide

N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide (PubChem CID 2288180) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide
PubChem CID2288180
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide
SMILESCC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClNO2S/c1-14(2,3)19-9-8-16-13(17)10-18-12-6-4-11(15)5-7-12/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyZTSDOQNFEXRCSB-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide (CID 2288180) is N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide is CC(C)(C)SCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide?
The InChIKey is ZTSDOQNFEXRCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-14(2,3)19-9-8-16-13(17)10-18-12-6-4-11(15)5-7-12/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide?
N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide has a molecular weight of 301.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 2288180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).