N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

C21H21NO2S — CID 134029390

IUPACN-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H21NO2S/c1-16-7-5-8-17(13-16)14-25-15-20(23)22-21(19-11-6-12-24-19)18-9-3-2-4-10-18/h2-13,21H,14-15H2,1H3,(H,22,23)
InChIKeyORDWPMXFQDMHBH-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.73
Rot. Bonds7

About N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 134029390) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID134029390
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCc1cccc(CSCC(=O)NC(c2ccccc2)c2ccco2)c1
InChIInChI=1S/C21H21NO2S/c1-16-7-5-8-17(13-16)14-25-15-20(23)22-21(19-11-6-12-24-19)18-9-3-2-4-10-18/h2-13,21H,14-15H2,1H3,(H,22,23)
InChIKeyORDWPMXFQDMHBH-UHFFFAOYSA-N
XLogP4.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
methyl 3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate
CID 71944020
N-(3-methylbutan-2-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 78786783
2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
N-[furan-2-yl(phenyl)methyl]-2-methoxyacetamide
CID 47140612
2-benzylsulfanyl-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487345
2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 43387082
N-[1-(3,4-dimethylphenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 132651277
N-[furan-2-yl(phenyl)methyl]-2-(propylamino)acetamide
CID 60661858
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
5-[[furan-2-yl(phenyl)methyl]amino]-5-oxopentanoic acid
CID 60708135
2-(3,4-dichlorophenyl)-N-[(R)-furan-2-yl(phenyl)methyl]acetamide
CID 8928200

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 134029390) is N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is Cc1cccc(CSCC(=O)NC(c2ccccc2)c2ccco2)c1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is ORDWPMXFQDMHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-16-7-5-8-17(13-16)14-25-15-20(23)22-21(19-11-6-12-24-19)18-9-3-2-4-10-18/h2-13,21H,14-15H2,1H3,(H,22,23).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 351.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134029390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).