N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide

C19H25NO2S — CID 112780802

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSCc1ccco1
InChIInChI=1S/C19H25NO2S/c1-13(2)16-8-5-9-17(14(3)4)19(16)20-18(21)12-23-11-15-7-6-10-22-15/h5-10,13-14H,11-12H2,1-4H3,(H,20,21)
InChIKeyOPZROZOJRPUTHG-UHFFFAOYSA-N
MW331.48 g/mol
LogP5.40
Rot. Bonds7

About N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide (PubChem CID 112780802) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
PubChem CID112780802
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CSCc1ccco1
InChIInChI=1S/C19H25NO2S/c1-13(2)16-8-5-9-17(14(3)4)19(16)20-18(21)12-23-11-15-7-6-10-22-15/h5-10,13-14H,11-12H2,1-4H3,(H,20,21)
InChIKeyOPZROZOJRPUTHG-UHFFFAOYSA-N
XLogP5.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
2-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 110484715
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
3-(furan-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 18084161
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780903
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2689588
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
N-[2,6-di(propan-2-yl)phenyl]-2-octylsulfanylacetamide
CID 15817217
N-(cyanomethyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 56794182
2-(3-cyanopropylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 96695118

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide (CID 112780802) is N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CSCc1ccco1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
The InChIKey is OPZROZOJRPUTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-13(2)16-8-5-9-17(14(3)4)19(16)20-18(21)12-23-11-15-7-6-10-22-15/h5-10,13-14H,11-12H2,1-4H3,(H,20,21).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide has a molecular weight of 331.48 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(furan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 112780802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).