N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide

C12H16FNOS — CID 115662245

IUPACN-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
SMILESCCSCC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyYDWHZVBVFZYUAL-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.70
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide

N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide (PubChem CID 115662245) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
PubChem CID115662245
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
SMILESCCSCC(C)NC(=O)c1ccccc1F
InChIInChI=1S/C12H16FNOS/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15)
InChIKeyYDWHZVBVFZYUAL-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylsulfanylpropan-2-yl)-2,3-difluorobenzamide
CID 115662280
3-bromo-N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide
CID 106547482
2-fluoro-N-(4-methylpentan-2-yl)benzamide
CID 3729415
3-amino-2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 113498897
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
4-bromo-N-(1-ethylsulfanylpropan-2-yl)-2,6-difluorobenzamide
CID 115686786
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
2-fluoro-N-[(2S)-non-8-en-2-yl]benzamide
CID 151103290
2,4-dibromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 103883078
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide (CID 115662245) is N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide is CCSCC(C)NC(=O)c1ccccc1F.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide?
The InChIKey is YDWHZVBVFZYUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-3-16-8-9(2)14-12(15)10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide?
N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide has a molecular weight of 241.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 115662245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).