N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

C19H23NO2S — CID 4207390

IUPACN-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccccc1CSCc1ccc(C(=O)NC2CCCC2)o1
InChIInChI=1S/C19H23NO2S/c1-14-6-2-3-7-15(14)12-23-13-17-10-11-18(22-17)19(21)20-16-8-4-5-9-16/h2-3,6-7,10-11,16H,4-5,8-9,12-13H2,1H3,(H,20,21)
InChIKeyQSESRHLULQOKRQ-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.69
Rot. Bonds6

About N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 4207390) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID4207390
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccccc1CSCc1ccc(C(=O)NC2CCCC2)o1
InChIInChI=1S/C19H23NO2S/c1-14-6-2-3-7-15(14)12-23-13-17-10-11-18(22-17)19(21)20-16-8-4-5-9-16/h2-3,6-7,10-11,16H,4-5,8-9,12-13H2,1H3,(H,20,21)
InChIKeyQSESRHLULQOKRQ-UHFFFAOYSA-N
XLogP4.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 63580707
N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859562
N-cycloheptyl-3-[(2-methylphenyl)methylsulfanyl]propanamide
CID 4193377
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
5-benzyl-N-[4-(dimethylamino)-4-[(2-methylphenyl)methyl]cyclohexyl]furan-2-carboxamide
CID 11553756
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
2-[(4-chlorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexylpropanamide
CID 132615881
(2R)-2-[benzyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571629
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 163304702
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanamide
CID 100513963
N-cyclopentyl-2-[(2-methylphenyl)methyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]propanamide
CID 132611630

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 4207390) is N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is Cc1ccccc1CSCc1ccc(C(=O)NC2CCCC2)o1.
What is the InChIKey of N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is QSESRHLULQOKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-6-2-3-7-15(14)12-23-13-17-10-11-18(22-17)19(21)20-16-8-4-5-9-16/h2-3,6-7,10-11,16H,4-5,8-9,12-13H2,1H3,(H,20,21).
What are the key properties of N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide has a molecular weight of 329.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 4207390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).