2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide

C16H24N2O3S — CID 71849148

IUPAC2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCSC1CCCC1N(C)C(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H24N2O3S/c1-10-8-12(11(2)21-10)16(20)17-9-15(19)18(3)13-6-5-7-14(13)22-4/h8,13-14H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyBEJIFBVXJMBIJL-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.37
Rot. Bonds5

About 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 71849148) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID71849148
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide
SMILESCSC1CCCC1N(C)C(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C16H24N2O3S/c1-10-8-12(11(2)21-10)16(20)17-9-15(19)18(3)13-6-5-7-14(13)22-4/h8,13-14H,5-7,9H2,1-4H3,(H,17,20)
InChIKeyBEJIFBVXJMBIJL-UHFFFAOYSA-N
XLogP2.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide (CID 71849148) is 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide is CSC1CCCC1N(C)C(=O)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is BEJIFBVXJMBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-10-8-12(11(2)21-10)16(20)17-9-15(19)18(3)13-6-5-7-14(13)22-4/h8,13-14H,5-7,9H2,1-4H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[methyl-(2-methylsulfanylcyclopentyl)amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 71849148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).