N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide

C24H25NO5S — CID 19933147

IUPACN-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1
InChIInChI=1S/C24H25NO5S/c1-28-22-11-5-6-12-23(22)30-15-24(27)25-20(14-18-8-3-2-4-9-18)21(26)17-31-16-19-10-7-13-29-19/h2-13,20H,14-17H2,1H3,(H,25,27)
InChIKeyXMTCCGZZOXFKHH-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.90
Rot. Bonds12

About N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 19933147) has the molecular formula C24H25NO5S and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID19933147
Molecular FormulaC24H25NO5S
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC NameN-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1
InChIInChI=1S/C24H25NO5S/c1-28-22-11-5-6-12-23(22)30-15-24(27)25-20(14-18-8-3-2-4-9-18)21(26)17-31-16-19-10-7-13-29-19/h2-13,20H,14-17H2,1H3,(H,25,27)
InChIKeyXMTCCGZZOXFKHH-UHFFFAOYSA-N
XLogP3.90
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide
CID 18941306
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide
CID 15287855
N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-phenoxybutanamide
CID 70059729
2-(2-methoxyphenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347257
2-(benzylcarbamoylamino)-N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methylpentanamide
CID 18941282
2-(4-methoxyphenoxy)-N-[(2S)-3-oxo-1-phenyl-4-(thiophen-3-ylmethylsulfanyl)butan-2-yl]acetamide
CID 54172034
(3S)-3-amino-1-(furan-2-ylmethylsulfanyl)-4-phenylbutan-2-one
CID 15287873
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxo-5-phenylpentan-3-yl]carbamate
CID 54324420
benzyl N-[3-cyclohexyl-1-[[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 18941184
methyl N-(9H-fluoren-9-yl)-N-[(2S)-1-[[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 70091826
N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methylpentan-2-yl]-2-(2-methylphenoxy)acetamide
CID 70090348

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 19933147) is N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is XMTCCGZZOXFKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S/c1-28-22-11-5-6-12-23(22)30-15-24(27)25-20(14-18-8-3-2-4-9-18)21(26)17-31-16-19-10-7-13-29-19/h2-13,20H,14-17H2,1H3,(H,25,27).
What are the key properties of N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 439.53 g/mol, XLogP of 3.90, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 19933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).