N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide

C14H18FNO2S — CID 107030113

IUPACN-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(NCCOC1CCCC1)c1ccc(F)c(S)c1
InChIInChI=1S/C14H18FNO2S/c15-12-6-5-10(9-13(12)19)14(17)16-7-8-18-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H,16,17)
InChIKeyULGURNMFEGXPBW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.80
Rot. Bonds5

About N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide

N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107030113) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107030113
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC NameN-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
SMILESO=C(NCCOC1CCCC1)c1ccc(F)c(S)c1
InChIInChI=1S/C14H18FNO2S/c15-12-6-5-10(9-13(12)19)14(17)16-7-8-18-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H,16,17)
InChIKeyULGURNMFEGXPBW-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
3-bromo-4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107956118
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide (CID 107030113) is N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide is O=C(NCCOC1CCCC1)c1ccc(F)c(S)c1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is ULGURNMFEGXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-6-5-10(9-13(12)19)14(17)16-7-8-18-11-3-1-2-4-11/h5-6,9,11,19H,1-4,7-8H2,(H,16,17).
What are the key properties of N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide?
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107030113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).