N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide

C18H18FNO2S — CID 166225563

IUPACN-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18FNO2S/c19-13-6-7-14-12(11-13)3-1-4-15(14)20-18(22)9-8-16(21)17-5-2-10-23-17/h2,5-7,10-11,15H,1,3-4,8-9H2,(H,20,22)/t15-/m1/s1
InChIKeyNVKZOMMCUYAIFZ-OAHLLOKOSA-N
MW331.41 g/mol
LogP4.04
Rot. Bonds5

About N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 166225563) has the molecular formula C18H18FNO2S and a molecular weight of 331.41 g/mol. Its IUPAC name is N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID166225563
Molecular FormulaC18H18FNO2S
Molecular Weight331.41 g/mol
Exact Mass331.10
IUPAC NameN-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2cc(F)ccc21
InChIInChI=1S/C18H18FNO2S/c19-13-6-7-14-12(11-13)3-1-4-15(14)20-18(22)9-8-16(21)17-5-2-10-23-17/h2,5-7,10-11,15H,1,3-4,8-9H2,(H,20,22)/t15-/m1/s1
InChIKeyNVKZOMMCUYAIFZ-OAHLLOKOSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide with MolForge

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Related Compounds

N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 166301711
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166244952
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 94646793
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 124854722
3-(dimethylsulfamoyl)-N-[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 97062388
(2R)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-6-oxopiperidine-2-carboxamide
CID 146129673
3-(4-fluorophenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43060037
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6183388

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide (CID 166225563) is N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)N[C@@H]1CCCc2cc(F)ccc21.
What is the InChIKey of N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is NVKZOMMCUYAIFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FNO2S/c19-13-6-7-14-12(11-13)3-1-4-15(14)20-18(22)9-8-16(21)17-5-2-10-23-17/h2,5-7,10-11,15H,1,3-4,8-9H2,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 331.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 166225563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).