4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide

C18H23FN2O2S — CID 119530318

IUPAC4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1sc2cccc(F)c2c1COC)C1CCNC1
InChIInChI=1S/C18H23FN2O2S/c1-3-9-21(12-7-8-20-10-12)18(22)17-13(11-23-2)16-14(19)5-4-6-15(16)24-17/h4-6,12,20H,3,7-11H2,1-2H3
InChIKeyUXVJXHDXCWGCBM-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.40
Rot. Bonds6

About 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide (PubChem CID 119530318) has the molecular formula C18H23FN2O2S and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
PubChem CID119530318
Molecular FormulaC18H23FN2O2S
Molecular Weight350.46 g/mol
Exact Mass350.15
IUPAC Name4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
SMILESCCCN(C(=O)c1sc2cccc(F)c2c1COC)C1CCNC1
InChIInChI=1S/C18H23FN2O2S/c1-3-9-21(12-7-8-20-10-12)18(22)17-13(11-23-2)16-14(19)5-4-6-15(16)24-17/h4-6,12,20H,3,7-11H2,1-2H3
InChIKeyUXVJXHDXCWGCBM-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(methoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119450232
4-fluoro-N-methyl-3-(phenoxymethyl)-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119554564
2-[cyclopropyl-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]propanoic acid
CID 119202587
5-fluoro-3-methyl-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide
CID 119530599
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
tert-butyl N-cyclopropyl-N-[3-[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]propyl]carbamate
CID 55868004
N-butyl-1-[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55949894
N'-(cyclopropanecarbonyl)-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 26738726
azetidin-1-yl-[4-fluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanone
CID 134015607
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 102684363

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide (CID 119530318) is 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide is CCCN(C(=O)c1sc2cccc(F)c2c1COC)C1CCNC1.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
The InChIKey is UXVJXHDXCWGCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2S/c1-3-9-21(12-7-8-20-10-12)18(22)17-13(11-23-2)16-14(19)5-4-6-15(16)24-17/h4-6,12,20H,3,7-11H2,1-2H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119530318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).