2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide

C15H16ClNO2S — CID 47110574

IUPAC2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H16ClNO2S/c1-9-4-7-14(19-9)10(2)17-15(18)12-8-11(20-3)5-6-13(12)16/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKAULDBRWAWAKEK-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide

2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide (PubChem CID 47110574) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
PubChem CID47110574
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C15H16ClNO2S/c1-9-4-7-14(19-9)10(2)17-15(18)12-8-11(20-3)5-6-13(12)16/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKAULDBRWAWAKEK-UHFFFAOYSA-N
XLogP4.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-methylsulfanyl-N-propan-2-ylbenzamide
CID 4806698
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-chloro-5-methylsulfanylbenzamide
CID 110278921
2-chloro-5-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187743
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
N-[(2R)-1-aminopropan-2-yl]-2-chloro-5-methylsulfanylbenzamide
CID 104872927
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 45147156
4-fluoro-2-iodo-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 47220104
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456
tert-butyl (2R)-2-[(2-chloro-5-methylsulfanylbenzoyl)amino]propanoate
CID 80999862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide (CID 47110574) is 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC(C)c2ccc(C)o2)c1.
What is the InChIKey of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide?
The InChIKey is KAULDBRWAWAKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-9-4-7-14(19-9)10(2)17-15(18)12-8-11(20-3)5-6-13(12)16/h4-8,10H,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide?
2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide has a molecular weight of 309.82 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-methylfuran-2-yl)ethyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 47110574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).