N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide

C20H25NO4S — CID 15287855

IUPACN-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide
SMILESCCCC[C@H](NC(=O)COc1ccccc1)C(=O)CSCc1ccco1
InChIInChI=1S/C20H25NO4S/c1-2-3-11-18(19(22)15-26-14-17-10-7-12-24-17)21-20(23)13-25-16-8-5-4-6-9-16/h4-10,12,18H,2-3,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyADTWASIKXTXLGG-SFHVURJKSA-N
MW375.49 g/mol
LogP3.84
Rot. Bonds12

About N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide

N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide (PubChem CID 15287855) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide
PubChem CID15287855
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide
SMILESCCCC[C@H](NC(=O)COc1ccccc1)C(=O)CSCc1ccco1
InChIInChI=1S/C20H25NO4S/c1-2-3-11-18(19(22)15-26-14-17-10-7-12-24-17)21-20(23)13-25-16-8-5-4-6-9-16/h4-10,12,18H,2-3,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyADTWASIKXTXLGG-SFHVURJKSA-N
XLogP3.84
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide
CID 54247406
N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]pentanamide
CID 18941306
N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methylpentan-2-yl]-2-(2-methylphenoxy)acetamide
CID 70090348
N-[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 19933147
2-(2,4-dichlorophenoxy)-N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methylpentan-2-yl]acetamide
CID 70049495
benzyl N-[6-amino-1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-1-oxoheptan-2-yl]carbamate;hydrochloride
CID 18941286
(2S)-2-[[2-(1-benzothiophen-3-yl)acetyl]amino]-N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methylpentanamide
CID 54465251
(2-fluorophenyl)methyl N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18941248
N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methylpentan-2-yl]-3,5-dimethoxybenzamide
CID 70050903
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
tert-butyl N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxo-5-phenylpentan-3-yl]carbamate
CID 54324420
N-[(2S)-4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]-2-phenoxybutanamide
CID 70059729

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide (CID 15287855) is N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide is CCCC[C@H](NC(=O)COc1ccccc1)C(=O)CSCc1ccco1.
What is the InChIKey of N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide?
The InChIKey is ADTWASIKXTXLGG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-2-3-11-18(19(22)15-26-14-17-10-7-12-24-17)21-20(23)13-25-16-8-5-4-6-9-16/h4-10,12,18H,2-3,11,13-15H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide?
N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide has a molecular weight of 375.49 g/mol, XLogP of 3.84, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 15287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).