N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

C18H17ClN2O3S — CID 134016940

IUPACN-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C18H17ClN2O3S/c1-23-15-4-6-16(7-5-15)24-8-9-25-12-18(22)21-17-10-14(19)3-2-13(17)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,22)
InChIKeyWCDVGOROEDHQER-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.97
Rot. Bonds8

About N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide

N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (PubChem CID 134016940) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
PubChem CID134016940
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C18H17ClN2O3S/c1-23-15-4-6-16(7-5-15)24-8-9-25-12-18(22)21-17-10-14(19)3-2-13(17)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,22)
InChIKeyWCDVGOROEDHQER-UHFFFAOYSA-N
XLogP3.97
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8797642
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586763
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 7731773
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(5-chloro-2-cyanophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643107
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide (CID 134016940) is N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is COc1ccc(OCCSCC(=O)Nc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
The InChIKey is WCDVGOROEDHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-23-15-4-6-16(7-5-15)24-8-9-25-12-18(22)21-17-10-14(19)3-2-13(17)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide has a molecular weight of 376.87 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide is sourced from PubChem (CID 134016940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).