N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide

C17H15NO3S — CID 126852637

IUPACN-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1
InChIInChI=1S/C17H15NO3S/c1-22-16-5-3-2-4-14(16)17(19)18-10-13-6-7-15(21-13)12-8-9-20-11-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyMSPIJNHCCPKSPU-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.19
Rot. Bonds5

About N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide

N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide (PubChem CID 126852637) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide
PubChem CID126852637
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1
InChIInChI=1S/C17H15NO3S/c1-22-16-5-3-2-4-14(16)17(19)18-10-13-6-7-15(21-13)12-8-9-20-11-12/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyMSPIJNHCCPKSPU-UHFFFAOYSA-N
XLogP4.19
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 122244115
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-[3-(furan-3-yl)-3-hydroxypropyl]-2-methylsulfanylbenzamide
CID 71804418
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-fluorobenzamide
CID 9204118
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 24672801
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18227464
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126852638
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46551445
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide (CID 126852637) is N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCc1ccc(-c2ccoc2)o1.
What is the InChIKey of N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide?
The InChIKey is MSPIJNHCCPKSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-22-16-5-3-2-4-14(16)17(19)18-10-13-6-7-15(21-13)12-8-9-20-11-12/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide?
N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 126852637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).