2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

C20H23ClN2O4S — CID 24982075

IUPAC2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-23(11-12-27-18-7-3-15(21)4-8-18)20(25)14-28-13-19(24)22-16-5-9-17(26-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyAMRDAPMUHFWDDH-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.56
Rot. Bonds10

About 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 24982075) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID24982075
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-23(11-12-27-18-7-3-15(21)4-8-18)20(25)14-28-13-19(24)22-16-5-9-17(26-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyAMRDAPMUHFWDDH-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 24982075) is 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)N(C)CCOc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is AMRDAPMUHFWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-23(11-12-27-18-7-3-15(21)4-8-18)20(25)14-28-13-19(24)22-16-5-9-17(26-2)10-6-16/h3-10H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 422.93 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24982075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).