N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide

C19H15NO3S2 — CID 119101200

IUPACN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)c1cc2ccccc2s1
InChIInChI=1S/C19H15NO3S2/c21-18(16-10-13-4-1-2-5-15(13)25-16)20-12-19(22,14-7-8-23-11-14)17-6-3-9-24-17/h1-11,22H,12H2,(H,20,21)
InChIKeyFUVBEXDKWIAXOQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide

N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide (PubChem CID 119101200) has the molecular formula C19H15NO3S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
PubChem CID119101200
Molecular FormulaC19H15NO3S2
Molecular Weight369.47 g/mol
Exact Mass369.05
IUPAC NameN-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCC(O)(c1ccoc1)c1cccs1)c1cc2ccccc2s1
InChIInChI=1S/C19H15NO3S2/c21-18(16-10-13-4-1-2-5-15(13)25-16)20-12-19(22,14-7-8-23-11-14)17-6-3-9-24-17/h1-11,22H,12H2,(H,20,21)
InChIKeyFUVBEXDKWIAXOQ-UHFFFAOYSA-N
XLogP4.22
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417009
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 124892133
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
5-bromo-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 129417175
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121018452
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide (CID 119101200) is N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide is O=C(NCC(O)(c1ccoc1)c1cccs1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is FUVBEXDKWIAXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3S2/c21-18(16-10-13-4-1-2-5-15(13)25-16)20-12-19(22,14-7-8-23-11-14)17-6-3-9-24-17/h1-11,22H,12H2,(H,20,21).
What are the key properties of N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide?
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 119101200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).