N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

C19H23NO2S — CID 3603967

IUPACN-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1cccc(CSCc2ccc(C(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C19H23NO2S/c1-14-5-4-6-15(11-14)12-23-13-17-9-10-18(22-17)19(21)20-16-7-2-3-8-16/h4-6,9-11,16H,2-3,7-8,12-13H2,1H3,(H,20,21)
InChIKeyNGYSVKVEVYBAGN-UHFFFAOYSA-N
MW329.46 g/mol
LogP4.69
Rot. Bonds6

About N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide

N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 3603967) has the molecular formula C19H23NO2S and a molecular weight of 329.46 g/mol. Its IUPAC name is N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID3603967
Molecular FormulaC19H23NO2S
Molecular Weight329.46 g/mol
Exact Mass329.14
IUPAC NameN-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1cccc(CSCc2ccc(C(=O)NC3CCCC3)o2)c1
InChIInChI=1S/C19H23NO2S/c1-14-5-4-6-15(11-14)12-23-13-17-9-10-18(22-17)19(21)20-16-7-2-3-8-16/h4-6,9-11,16H,2-3,7-8,12-13H2,1H3,(H,20,21)
InChIKeyNGYSVKVEVYBAGN-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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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 3603967) is N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is Cc1cccc(CSCc2ccc(C(=O)NC3CCCC3)o2)c1.
What is the InChIKey of N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is NGYSVKVEVYBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-5-4-6-15(11-14)12-23-13-17-9-10-18(22-17)19(21)20-16-7-2-3-8-16/h4-6,9-11,16H,2-3,7-8,12-13H2,1H3,(H,20,21).
What are the key properties of N-cyclopentyl-5-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-cyclopentyl-5-[(3-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-[(3-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 3603967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).