N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

C18H18ClNO2S — CID 6219239

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSC/C=C/c1ccccc1
InChIInChI=1S/C18H18ClNO2S/c1-22-17-10-9-15(19)12-16(17)20-18(21)13-23-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,21)/b8-5+
InChIKeyAMXIKOFDTLUXCY-VMPITWQZSA-N
MW347.87 g/mol
LogP4.73
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (PubChem CID 6219239) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
PubChem CID6219239
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSC/C=C/c1ccccc1
InChIInChI=1S/C18H18ClNO2S/c1-22-17-10-9-15(19)12-16(17)20-18(21)13-23-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,21)/b8-5+
InChIKeyAMXIKOFDTLUXCY-VMPITWQZSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.73
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-(5-chloro-2-methoxyphenyl)-2-(3-phenylprop-2-enylsulfanyl)acetamide
CID 4852447
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105352698
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)acetamide
CID 2666806
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174564

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide (CID 6219239) is N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSC/C=C/c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
The InChIKey is AMXIKOFDTLUXCY-VMPITWQZSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-22-17-10-9-15(19)12-16(17)20-18(21)13-23-11-5-8-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,21)/b8-5+.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide has a molecular weight of 347.87 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide is sourced from PubChem (CID 6219239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).