4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide

C19H18FNO2S — CID 142725170

IUPAC4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CCCO)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C19H18FNO2S/c1-21(10-3-11-22)19(23)18-12-16-15(4-2-5-17(16)24-18)13-6-8-14(20)9-7-13/h2,4-9,12,22H,3,10-11H2,1H3
InChIKeyYAUCIPMEDBOUJT-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.16
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide

4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 142725170) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID142725170
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC Name4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CCCO)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C19H18FNO2S/c1-21(10-3-11-22)19(23)18-12-16-15(4-2-5-17(16)24-18)13-6-8-14(20)9-7-13/h2,4-9,12,22H,3,10-11H2,1H3
InChIKeyYAUCIPMEDBOUJT-UHFFFAOYSA-N
XLogP4.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 142725182
N-ethyl-4-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 134023621
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129160685
4-fluoro-N-methoxy-N-methyl-1-benzothiophene-2-carboxamide
CID 55028026
2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
CID 142725184
4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 38560898
4-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzothiophene-2-carboxamide
CID 64510878
4-fluoro-N-(furan-2-ylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 43002952
4-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 17411260
N-(2-chloroethyl)-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide
CID 81104759
4-fluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 51095013
N-(5-hydroxypentyl)-N-methylthiophene-2-carboxamide
CID 107202244

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 142725170) is 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(CCCO)C(=O)c1cc2c(-c3ccc(F)cc3)cccc2s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is YAUCIPMEDBOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c1-21(10-3-11-22)19(23)18-12-16-15(4-2-5-17(16)24-18)13-6-8-14(20)9-7-13/h2,4-9,12,22H,3,10-11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide?
4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142725170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).