5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide

C13H14FNO2S — CID 53014207

IUPAC5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(C)C)sc2ccc(F)cc12
InChIInChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)9-6-8(14)4-5-10(9)18-12/h4-7H,1-3H3,(H,15,16)
InChIKeyIHKFEXBPEMKXEH-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.19
Rot. Bonds3

About 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide

5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 53014207) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
PubChem CID53014207
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide
SMILESCOc1c(C(=O)NC(C)C)sc2ccc(F)cc12
InChIInChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)9-6-8(14)4-5-10(9)18-12/h4-7H,1-3H3,(H,15,16)
InChIKeyIHKFEXBPEMKXEH-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1)Benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one, 3,4-dihydro-9-methoxy-
CID 461195
2,3,4,5-Tetrahydro-10-methoxybenzo[b]thieno[2,3-f]-1,5-thiazocin-6-one
CID 53321416
2-methoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
CID 24982054
9-methoxy-3,4-dihydro-2H-benzothiopheno[2,3-f][1,4]oxazepin-5-one
CID 512548
3-Methoxy-5,6,7,8-tetrahydro-10-thia-8-aza-benzo[a]azulen-9-one
CID 45271879
N-(3-Fluorobenzyl)-5-methoxy-N-methylbenzo[b]thiophene-2-carboxamide
CID 129897084
5-methoxy-N-(2-phenylethyl)-1-benzothiophene-2-carboxamide
CID 137635339
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-1-benzothiophen-2-yl)methanone
CID 137652255
N-benzyl-5-methoxy-1-benzothiophene-2-carboxamide
CID 137657739
[3-[(3,4-difluorophenyl)methoxy]-1-benzothiophen-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 137658273
N-(5-fluoro-2-methoxybenzoyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 168271123
N-[(3,5-difluorophenyl)methyl]-5-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 168285709

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide (CID 53014207) is 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide is COc1c(C(=O)NC(C)C)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is IHKFEXBPEMKXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c1-7(2)15-13(16)12-11(17-3)9-6-8(14)4-5-10(9)18-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of 5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide?
5-fluoro-3-methoxy-N-propan-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 267.32 g/mol, XLogP of 3.19, 3 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-propan-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 53014207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).