N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide

C16H16ClNO2S — CID 8819472

IUPACN-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCOc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-12(19)18-13-6-8-14(9-7-13)21-11-10-20-16-5-3-2-4-15(16)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZUXVTADQDOKHBQ-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide

N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide (PubChem CID 8819472) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
PubChem CID8819472
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCCOc2ccccc2Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-12(19)18-13-6-8-14(9-7-13)21-11-10-20-16-5-3-2-4-15(16)17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZUXVTADQDOKHBQ-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.47
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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Related Compounds

N-[2-[2-(4-fluorophenyl)sulfanylethoxy]phenyl]acetamide
CID 9137754
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
CID 8779437
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
N-(4-acetamidophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635830
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
N-(4-bromophenyl)-3-(2-chlorophenoxy)propanamide
CID 108789381
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
3-(2-chlorophenoxy)propyl acetate
CID 59706608
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100749903
1-[2-[2-(4-bromophenyl)sulfanylethoxy]phenyl]ethanone
CID 43412618

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide (CID 8819472) is N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCCOc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide?
The InChIKey is ZUXVTADQDOKHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-12(19)18-13-6-8-14(9-7-13)21-11-10-20-16-5-3-2-4-15(16)17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide?
N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide has a molecular weight of 321.83 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenoxy)ethylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 8819472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).