2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide

C15H22FNO2S — CID 107026547

IUPAC2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H22FNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3
InChIKeyFSRRGSMJVJZEHY-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.39
Rot. Bonds7

About 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide

2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide (PubChem CID 107026547) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
PubChem CID107026547
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
SMILESCCC(CC)N(CCOC)C(=O)c1cc(S)ccc1F
InChIInChI=1S/C15H22FNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3
InChIKeyFSRRGSMJVJZEHY-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
CID 107026683
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 60792619
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
2-fluoro-N-(2-methoxyethyl)-N-propan-2-yl-5-(trifluoromethyl)benzamide
CID 82942832
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
3-amino-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylbenzamide
CID 61108280
2-(2-methoxyethoxy)ethyl 2-fluoro-5-sulfanylbenzoate
CID 107019067

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide (CID 107026547) is 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide is CCC(CC)N(CCOC)C(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
The InChIKey is FSRRGSMJVJZEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-4-11(5-2)17(8-9-19-3)15(18)13-10-12(20)6-7-14(13)16/h6-7,10-11,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide?
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide has a molecular weight of 299.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107026547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).