2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide

C18H20ClNO3S — CID 7731773

IUPAC2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-22-17-6-3-2-5-16(17)20-18(21)13-24-12-4-11-23-15-9-7-14(19)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,20,21)
InChIKeyAIPFXOMQCMYCFX-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.49
Rot. Bonds9

About 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide

2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide (PubChem CID 7731773) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
PubChem CID7731773
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSCCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c1-22-17-6-3-2-5-16(17)20-18(21)13-24-12-4-11-23-15-9-7-14(19)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,20,21)
InChIKeyAIPFXOMQCMYCFX-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 31088675
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenoxypropylsulfanyl)acetamide
CID 41244659
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 24574595
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(2,5-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089312
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
2-(4-chlorophenoxy)ethyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 42965688
2-[3-(4-chlorophenoxy)propylsulfanyl]acetic acid
CID 43242208
2-[2-(4-chlorophenoxy)ethylsulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 38957471
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide (CID 7731773) is 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSCCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is AIPFXOMQCMYCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-22-17-6-3-2-5-16(17)20-18(21)13-24-12-4-11-23-15-9-7-14(19)8-10-15/h2-3,5-10H,4,11-13H2,1H3,(H,20,21).
What are the key properties of 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide?
2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 365.88 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propylsulfanyl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7731773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).