2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide

C15H22FNOS — CID 107026404

IUPAC2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
SMILESCCCCCN(C(=O)c1cc(S)ccc1F)C(C)C
InChIInChI=1S/C15H22FNOS/c1-4-5-6-9-17(11(2)3)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,4-6,9H2,1-3H3
InChIKeyOMVRCXXSYYGQCQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.16
Rot. Bonds6

About 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide

2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide (PubChem CID 107026404) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
PubChem CID107026404
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
SMILESCCCCCN(C(=O)c1cc(S)ccc1F)C(C)C
InChIInChI=1S/C15H22FNOS/c1-4-5-6-9-17(11(2)3)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,4-6,9H2,1-3H3
InChIKeyOMVRCXXSYYGQCQ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
CID 107026683
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622
2-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
5-fluoro-2-nitro-N-pentyl-N-propan-2-ylbenzamide
CID 61052173
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
N-[3-(diethylamino)propyl]-N-ethyl-2-fluoro-5-sulfanylbenzamide
CID 107036899
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
CID 106040669
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide (CID 107026404) is 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide is CCCCCN(C(=O)c1cc(S)ccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide?
The InChIKey is OMVRCXXSYYGQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-4-5-6-9-17(11(2)3)15(18)13-10-12(19)7-8-14(13)16/h7-8,10-11,19H,4-6,9H2,1-3H3.
What are the key properties of 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide?
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide has a molecular weight of 283.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107026404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).