N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

C16H20FNOS — CID 146284077

IUPACN-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1sc2c(c1C1CC(F)C1)CCCC2)C1CC1
InChIInChI=1S/C16H20FNOS/c17-11-7-10(8-11)14-12-3-1-2-4-13(12)20-16(14)18-15(19)9-5-6-9/h9-11H,1-8H2,(H,18,19)
InChIKeyZLLJGRUVLYMOQJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.19
Rot. Bonds3

About N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide

N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (PubChem CID 146284077) has the molecular formula C16H20FNOS and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
PubChem CID146284077
Molecular FormulaC16H20FNOS
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC NameN-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1sc2c(c1C1CC(F)C1)CCCC2)C1CC1
InChIInChI=1S/C16H20FNOS/c17-11-7-10(8-11)14-12-3-1-2-4-13(12)20-16(14)18-15(19)9-5-6-9/h9-11H,1-8H2,(H,18,19)
InChIKeyZLLJGRUVLYMOQJ-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

hGCGR antagonist
CID 619101
2-((Cyclopropylcarbonyl)amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 673481
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 290230
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopropanecarboxamide
CID 694422
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
CID 726183
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclohexanecarboxamide
CID 847353
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)cyclopentanecarboxamide
CID 4578060
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 657966
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-methylbutanamide
CID 800118
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamide
CID 810647
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
CID 729610
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 4136079

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide (CID 146284077) is N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1sc2c(c1C1CC(F)C1)CCCC2)C1CC1.
What is the InChIKey of N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is ZLLJGRUVLYMOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNOS/c17-11-7-10(8-11)14-12-3-1-2-4-13(12)20-16(14)18-15(19)9-5-6-9/h9-11H,1-8H2,(H,18,19).
What are the key properties of N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide?
N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorocyclobutyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 146284077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).