N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide

C13H18FNO2S — CID 107026683

IUPACN-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1F)C(C)COC
InChIInChI=1S/C13H18FNO2S/c1-4-15(9(2)8-17-3)13(16)11-7-10(18)5-6-12(11)14/h5-7,9,18H,4,8H2,1-3H3
InChIKeyBBCQYZQHWBNALI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide

N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide (PubChem CID 107026683) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
PubChem CID107026683
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC NameN-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide
SMILESCCN(C(=O)c1cc(S)ccc1F)C(C)COC
InChIInChI=1S/C13H18FNO2S/c1-4-15(9(2)8-17-3)13(16)11-7-10(18)5-6-12(11)14/h5-7,9,18H,4,8H2,1-3H3
InChIKeyBBCQYZQHWBNALI-UHFFFAOYSA-N
XLogP2.61
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.61
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-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026547
2-amino-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 61107492
N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 104699298
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,4-dimethylbenzamide
CID 102705204
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
2-(2-methoxyethoxy)ethyl 2-fluoro-5-sulfanylbenzoate
CID 107019067
3-methoxypropyl 2-fluoro-5-sulfanylbenzoate
CID 107018250
N-[3-(diethylamino)propyl]-N-ethyl-2-fluoro-5-sulfanylbenzamide
CID 107036899
2-[ethyl(1-methoxypropan-2-yl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 65454499

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide (CID 107026683) is N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide is CCN(C(=O)c1cc(S)ccc1F)C(C)COC.
What is the InChIKey of N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide?
The InChIKey is BBCQYZQHWBNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-4-15(9(2)8-17-3)13(16)11-7-10(18)5-6-12(11)14/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide?
N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide has a molecular weight of 271.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(1-methoxypropan-2-yl)-5-sulfanylbenzamide is sourced from PubChem (CID 107026683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).