N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

C16H19NO2S — CID 35062256

IUPACN-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(2)13-5-7-15(8-6-13)20-11-16(18)17-10-14-4-3-9-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyGBFVMLPOYYHJIE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.81
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (PubChem CID 35062256) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
PubChem CID35062256
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C16H19NO2S/c1-12(2)13-5-7-15(8-6-13)20-11-16(18)17-10-14-4-3-9-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)
InChIKeyGBFVMLPOYYHJIE-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-propanoylphenyl)sulfanylacetamide
CID 82164446
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952801
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952800
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9080036
2-[4-(cyclopropanecarbonyl)phenyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 94779967
N-(furan-2-ylmethyl)-3-(4-propan-2-ylanilino)propanamide
CID 109018491
5-[[[2-(4-propan-2-ylphenyl)sulfanylacetyl]amino]methyl]furan-2-carboxylic acid
CID 119245936
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
2-(3-aminophenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79133329
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide (CID 35062256) is N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide is CC(C)c1ccc(SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The InChIKey is GBFVMLPOYYHJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(2)13-5-7-15(8-6-13)20-11-16(18)17-10-14-4-3-9-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide is sourced from PubChem (CID 35062256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).