4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide

C13H14FNO2S — CID 30481509

IUPAC4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C13H14FNO2S/c1-8(7-17-2)15-13(16)12-6-9-10(14)4-3-5-11(9)18-12/h3-6,8H,7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyQSGMLUGYOOVMRM-MRVPVSSYSA-N
MW267.32 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide

4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 30481509) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID30481509
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(F)cccc2s1
InChIInChI=1S/C13H14FNO2S/c1-8(7-17-2)15-13(16)12-6-9-10(14)4-3-5-11(9)18-12/h3-6,8H,7H2,1-2H3,(H,15,16)/t8-/m1/s1
InChIKeyQSGMLUGYOOVMRM-MRVPVSSYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 103850889
methyl (2R)-2-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 51681533
4-fluoro-N-(2-hydroxy-3-methylbutyl)-1-benzothiophene-2-carboxamide
CID 115744570
3-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108110
N-(dicyclopropylmethyl)-4-fluoro-1-benzothiophene-2-carboxamide
CID 30372793
4-fluoro-N-[(1R)-1-pyridin-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 9118932
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 55963207
N-[1-(3-acetamidophenyl)ethyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43057862
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 55158856

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide (CID 30481509) is 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide is COC[C@@H](C)NC(=O)c1cc2c(F)cccc2s1.
What is the InChIKey of 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is QSGMLUGYOOVMRM-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-8(7-17-2)15-13(16)12-6-9-10(14)4-3-5-11(9)18-12/h3-6,8H,7H2,1-2H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2R)-1-methoxypropan-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 30481509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).