4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

C15H16FNO2S — CID 66004913

IUPAC4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CC(O)C2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNO2S/c1-8-13-11(16)3-2-4-12(13)20-14(8)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7H2,1H3,(H,17,19)
InChIKeySEJQMBCQTAKWGR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.85
Rot. Bonds3

About 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 66004913) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID66004913
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NCC2CC(O)C2)sc2cccc(F)c12
InChIInChI=1S/C15H16FNO2S/c1-8-13-11(16)3-2-4-12(13)20-14(8)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7H2,1H3,(H,17,19)
InChIKeySEJQMBCQTAKWGR-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 66004913) is 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NCC2CC(O)C2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is SEJQMBCQTAKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-8-13-11(16)3-2-4-12(13)20-14(8)15(19)17-7-9-5-10(18)6-9/h2-4,9-10,18H,5-7H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-hydroxycyclobutyl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 66004913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).