2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

C18H23NO3S — CID 78828363

IUPAC2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)CSCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-13(2)18(14-6-8-15(21-3)9-7-14)19-17(20)12-23-11-16-5-4-10-22-16/h4-10,13,18H,11-12H2,1-3H3,(H,19,20)
InChIKeySLCPPLXELNMDSP-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.03
Rot. Bonds8

About 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide

2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 78828363) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
PubChem CID78828363
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C(NC(=O)CSCc2ccco2)C(C)C)cc1
InChIInChI=1S/C18H23NO3S/c1-13(2)18(14-6-8-15(21-3)9-7-14)19-17(20)12-23-11-16-5-4-10-22-16/h4-10,13,18H,11-12H2,1-3H3,(H,19,20)
InChIKeySLCPPLXELNMDSP-UHFFFAOYSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 112780782
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
methyl N-[2-(furan-2-ylmethylsulfanyl)acetyl]carbamate
CID 67704889
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 51287944
2-(furan-2-ylmethylsulfanyl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 112781003

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide (CID 78828363) is 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C(NC(=O)CSCc2ccco2)C(C)C)cc1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is SLCPPLXELNMDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13(2)18(14-6-8-15(21-3)9-7-14)19-17(20)12-23-11-16-5-4-10-22-16/h4-10,13,18H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide?
2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 333.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 78828363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).