2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

C14H19NO2S — CID 75407169

IUPAC2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESC/C=C/CSCC(=O)NCc1ccccc1OC
InChIInChI=1S/C14H19NO2S/c1-3-4-9-18-11-14(16)15-10-12-7-5-6-8-13(12)17-2/h3-8H,9-11H2,1-2H3,(H,15,16)/b4-3+
InChIKeyYNIVDPCCYSIEHO-ONEGZZNKSA-N
MW265.38 g/mol
LogP2.62
Rot. Bonds7

About 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide

2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 75407169) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID75407169
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
SMILESC/C=C/CSCC(=O)NCc1ccccc1OC
InChIInChI=1S/C14H19NO2S/c1-3-4-9-18-11-14(16)15-10-12-7-5-6-8-13(12)17-2/h3-8H,9-11H2,1-2H3,(H,15,16)/b4-3+
InChIKeyYNIVDPCCYSIEHO-ONEGZZNKSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
2-(4-aminophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 43299053
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
N-[(2-methoxyphenyl)methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 110771215
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113202520

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide (CID 75407169) is 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is C/C=C/CSCC(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is YNIVDPCCYSIEHO-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-3-4-9-18-11-14(16)15-10-12-7-5-6-8-13(12)17-2/h3-8H,9-11H2,1-2H3,(H,15,16)/b4-3+.
What are the key properties of 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 75407169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).