5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide

C18H16FNO2S — CID 95058267

IUPAC5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2ccccc2)sc2ccc(F)cc12
InChIInChI=1S/C18H16FNO2S/c1-11(12-6-4-3-5-7-12)20-18(21)17-16(22-2)14-10-13(19)8-9-15(14)23-17/h3-11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyBLBKXYCMBHTIRQ-LLVKDONJSA-N
MW329.40 g/mol
LogP4.54
Rot. Bonds4

About 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide

5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 95058267) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide
PubChem CID95058267
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2ccccc2)sc2ccc(F)cc12
InChIInChI=1S/C18H16FNO2S/c1-11(12-6-4-3-5-7-12)20-18(21)17-16(22-2)14-10-13(19)8-9-15(14)23-17/h3-11H,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyBLBKXYCMBHTIRQ-LLVKDONJSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 95058276
5-chloro-N-[(1R)-1-(4-ethylphenyl)ethyl]-3-methoxy-1-benzothiophene-2-carboxamide
CID 95058282
5-fluoro-3-methoxy-N-[(1S)-1-thiophen-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 95058270
3-methylsulfanyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 54035615
6-chloro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 53014216
4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 24539845
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 24503597
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[(1R)-1-phenylethyl]thiophene-2-carboxamide
CID 51958932

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide (CID 95058267) is 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide is COc1c(C(=O)N[C@H](C)c2ccccc2)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is BLBKXYCMBHTIRQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-11(12-6-4-3-5-7-12)20-18(21)17-16(22-2)14-10-13(19)8-9-15(14)23-17/h3-11H,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide?
5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methoxy-N-[(1R)-1-phenylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 95058267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).