3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide

C13H18FNO2S — CID 94811265

IUPAC3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10(9-17-2)15-13(16)7-8-18-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyJMSAWJPUDIFBNX-JTQLQIEISA-N
MW271.36 g/mol
LogP2.46
Rot. Bonds7

About 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide

3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide (PubChem CID 94811265) has the molecular formula C13H18FNO2S and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
PubChem CID94811265
Molecular FormulaC13H18FNO2S
Molecular Weight271.36 g/mol
Exact Mass271.10
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
SMILESCOC[C@H](C)NC(=O)CCSc1ccc(F)cc1
InChIInChI=1S/C13H18FNO2S/c1-10(9-17-2)15-13(16)7-8-18-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyJMSAWJPUDIFBNX-JTQLQIEISA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-fluorophenyl)sulfanyl-N-(1-thiophen-2-ylethyl)propanamide
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2-[3-(4-fluorophenyl)sulfanylpropyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111027900
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
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(2S)-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]hexanoic acid
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2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
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3-(4-fluorophenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 30281645
3-(3-fluorophenyl)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 51725488
1-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 8637676

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide (CID 94811265) is 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide is COC[C@H](C)NC(=O)CCSc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide?
The InChIKey is JMSAWJPUDIFBNX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18FNO2S/c1-10(9-17-2)15-13(16)7-8-18-12-5-3-11(14)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide?
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide is sourced from PubChem (CID 94811265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).