2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

C15H17NO3S — CID 9401109

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-18-12-5-7-14(8-6-12)20-11-15(17)16-10-13-4-3-9-19-13/h3-9H,2,10-11H2,1H3,(H,16,17)
InChIKeyVZKKIIGVJJCUMK-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.09
Rot. Bonds7

About 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 9401109) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID9401109
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H17NO3S/c1-2-18-12-5-7-14(8-6-12)20-11-15(17)16-10-13-4-3-9-19-13/h3-9H,2,10-11H2,1H3,(H,16,17)
InChIKeyVZKKIIGVJJCUMK-UHFFFAOYSA-N
XLogP3.09
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 82164446
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
2-[[5-(4-ethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 19732215
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-[6-amino-1-(4-ethoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 16832956
2-[(4-ethoxyphenyl)sulfonylmethylamino]-N-(furan-2-ylmethyl)acetamide
CID 21156771
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 55462976
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 9401109) is 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is CCOc1ccc(SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VZKKIIGVJJCUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-2-18-12-5-7-14(8-6-12)20-11-15(17)16-10-13-4-3-9-19-13/h3-9H,2,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 291.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 9401109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).