N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide

C18H23NO2S — CID 51952801

IUPACN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)N[C@H](C)Cc2ccco2)cc1
InChIInChI=1S/C18H23NO2S/c1-13(2)15-6-8-17(9-7-15)22-12-18(20)19-14(3)11-16-5-4-10-21-16/h4-10,13-14H,11-12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyYOAAMCGNRCJXLF-CQSZACIVSA-N
MW317.45 g/mol
LogP4.24
Rot. Bonds7

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide (PubChem CID 51952801) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
PubChem CID51952801
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
SMILESCC(C)c1ccc(SCC(=O)N[C@H](C)Cc2ccco2)cc1
InChIInChI=1S/C18H23NO2S/c1-13(2)15-6-8-17(9-7-15)22-12-18(20)19-14(3)11-16-5-4-10-21-16/h4-10,13-14H,11-12H2,1-3H3,(H,19,20)/t14-/m1/s1
InChIKeyYOAAMCGNRCJXLF-CQSZACIVSA-N
XLogP4.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 51952800
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-phenacylsulfanylacetamide
CID 95158742
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 55614663
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
N-[1-(furan-2-yl)propan-2-yl]-2-phenoxyacetamide
CID 47148392
2-(azetidin-3-yl)-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 64617974
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 55364221

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide (CID 51952801) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide is CC(C)c1ccc(SCC(=O)N[C@H](C)Cc2ccco2)cc1.
What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
The InChIKey is YOAAMCGNRCJXLF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-13(2)15-6-8-17(9-7-15)22-12-18(20)19-14(3)11-16-5-4-10-21-16/h4-10,13-14H,11-12H2,1-3H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide?
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide has a molecular weight of 317.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-(4-propan-2-ylphenyl)sulfanylacetamide is sourced from PubChem (CID 51952801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).