N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide

C15H13NO3S — CID 100724264

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccco1
InChIInChI=1S/C15H13NO3S/c17-12(8-16-15(18)13-5-3-7-19-13)11-9-20-14-6-2-1-4-10(11)14/h1-7,9,12,17H,8H2,(H,16,18)/t12-/m0/s1
InChIKeyKQSNHBZBKTYAJT-LBPRGKRZSA-N
MW287.34 g/mol
LogP2.96
Rot. Bonds4

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide (PubChem CID 100724264) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
PubChem CID100724264
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](O)c1csc2ccccc12)c1ccco1
InChIInChI=1S/C15H13NO3S/c17-12(8-16-15(18)13-5-3-7-19-13)11-9-20-14-6-2-1-4-10(11)14/h1-7,9,12,17H,8H2,(H,16,18)/t12-/m0/s1
InChIKeyKQSNHBZBKTYAJT-LBPRGKRZSA-N
XLogP2.96
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]benzamide
CID 100724295
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 100725505
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-thiophen-3-ylacetamide
CID 121179488
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 121179337
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1,3-benzothiazole-2-carboxamide
CID 100724754
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121179463
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-phenylmethoxyacetamide
CID 121179497
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217
N-[(2S)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
CID 100724722
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 121179498
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(dimethylamino)benzamide
CID 91630827

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide (CID 100724264) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide is O=C(NC[C@H](O)c1csc2ccccc12)c1ccco1.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide?
The InChIKey is KQSNHBZBKTYAJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-12(8-16-15(18)13-5-3-7-19-13)11-9-20-14-6-2-1-4-10(11)14/h1-7,9,12,17H,8H2,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]furan-2-carboxamide is sourced from PubChem (CID 100724264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).