N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide

C15H17NO3S — CID 94679161

IUPACN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc([S@](C)=O)cc2)o1
InChIInChI=1S/C15H17NO3S/c1-10-4-9-14(19-10)11(2)16-15(17)12-5-7-13(8-6-12)20(3)18/h4-9,11H,1-3H3,(H,16,17)/t11-,20-/m0/s1
InChIKeyRHMJMVAXAHTGAT-YBTHPKLGSA-N
MW291.37 g/mol
LogP2.82
Rot. Bonds4

About N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide

N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide (PubChem CID 94679161) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
PubChem CID94679161
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
SMILESCc1ccc([C@H](C)NC(=O)c2ccc([S@](C)=O)cc2)o1
InChIInChI=1S/C15H17NO3S/c1-10-4-9-14(19-10)11(2)16-15(17)12-5-7-13(8-6-12)20(3)18/h4-9,11H,1-3H3,(H,16,17)/t11-,20-/m0/s1
InChIKeyRHMJMVAXAHTGAT-YBTHPKLGSA-N
XLogP2.82
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
4-(tert-butylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51314571
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
4-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46680020
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide?
The IUPAC name of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide (CID 94679161) is N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide?
The canonical SMILES for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide is Cc1ccc([C@H](C)NC(=O)c2ccc([S@](C)=O)cc2)o1.
What is the InChIKey of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide?
The InChIKey is RHMJMVAXAHTGAT-YBTHPKLGSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-4-9-14(19-10)11(2)16-15(17)12-5-7-13(8-6-12)20(3)18/h4-9,11H,1-3H3,(H,16,17)/t11-,20-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide?
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide has a molecular weight of 291.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide is sourced from PubChem (CID 94679161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).