N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide

C12H10FNOS — CID 1477944

IUPACN-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc2c(F)cccc2s1
InChIInChI=1S/C12H10FNOS/c13-9-2-1-3-10-8(9)6-11(16-10)12(15)14-7-4-5-7/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyBQAVWRCLWRVSTN-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.93
Rot. Bonds2

About N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide

N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 1477944) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
PubChem CID1477944
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC NameN-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(NC1CC1)c1cc2c(F)cccc2s1
InChIInChI=1S/C12H10FNOS/c13-9-2-1-3-10-8(9)6-11(16-10)12(15)14-7-4-5-7/h1-3,6-7H,4-5H2,(H,14,15)
InChIKeyBQAVWRCLWRVSTN-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide (CID 1477944) is N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide is O=C(NC1CC1)c1cc2c(F)cccc2s1.
What is the InChIKey of N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is BQAVWRCLWRVSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-9-2-1-3-10-8(9)6-11(16-10)12(15)14-7-4-5-7/h1-3,6-7H,4-5H2,(H,14,15).
What are the key properties of N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide?
N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).