[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium

C20H21N2O2S+ — CID 8696199

IUPAC[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C20H20N2O2S/c1-25-17-10-5-9-16(13-17)22-19(23)14-21-20(18-11-6-12-24-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/p+1/t20-/m1/s1
InChIKeyPUCYTSRQBRVSCF-HXUWFJFHSA-O
MW353.47 g/mol
LogP3.29
Rot. Bonds7

About [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium

[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium (PubChem CID 8696199) has the molecular formula C20H21N2O2S+ and a molecular weight of 353.47 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
PubChem CID8696199
Molecular FormulaC20H21N2O2S+
Molecular Weight353.47 g/mol
Exact Mass353.13
IUPAC Name[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
SMILESCSc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1
InChIInChI=1S/C20H20N2O2S/c1-25-17-10-5-9-16(13-17)22-19(23)14-21-20(18-11-6-12-24-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/p+1/t20-/m1/s1
InChIKeyPUCYTSRQBRVSCF-HXUWFJFHSA-O
XLogP3.29
TPSA58.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 8695941
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696127
[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9051932
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8755919
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8696091
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
[2-(3-fluoroanilino)-2-oxoethyl]-[(1S)-1-(furan-2-yl)ethyl]azanium
CID 8919141
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8756043
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium
CID 8756529
[2-(2,5-dimethoxyanilino)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8695957
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
[(S)-furan-2-yl(phenyl)methyl]-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8755033

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium (CID 8696199) is [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium is CSc1cccc(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccco2)c1.
What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium?
The InChIKey is PUCYTSRQBRVSCF-HXUWFJFHSA-O. The full InChI is InChI=1S/C20H20N2O2S/c1-25-17-10-5-9-16(13-17)22-19(23)14-21-20(18-11-6-12-24-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/p+1/t20-/m1/s1.
What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium?
[(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium has a molecular weight of 353.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-furan-2-yl(phenyl)methyl]-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8696199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).