N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide

C13H19NO3S — CID 111425891

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)C2CCCC2)o1
InChIInChI=1S/C13H19NO3S/c1-18-12-7-6-11(17-12)13(16)14-8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyPJPINSURFGPQPI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.28
Rot. Bonds5

About N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide (PubChem CID 111425891) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide
PubChem CID111425891
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)NCC(O)C2CCCC2)o1
InChIInChI=1S/C13H19NO3S/c1-18-12-7-6-11(17-12)13(16)14-8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3,(H,14,16)
InChIKeyPJPINSURFGPQPI-UHFFFAOYSA-N
XLogP2.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 120832608
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
2-(4-chlorophenyl)-N-(2-cyclopentyl-2-hydroxyethyl)acetamide
CID 111426322
N-(2-cyclopentyl-2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 111426337
5-cyclohexyl-4-[(5-methylsulfanylfuran-2-carbonyl)amino]pentanoic acid
CID 122056780
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
CID 119406286
5-methylsulfanyl-N-(2-piperidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119556582
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide (CID 111425891) is N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide is CSc1ccc(C(=O)NCC(O)C2CCCC2)o1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is PJPINSURFGPQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-18-12-7-6-11(17-12)13(16)14-8-10(15)9-4-2-3-5-9/h6-7,9-10,15H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 111425891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).