2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

C18H16ClNO3S — CID 126852465

IUPAC2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16ClNO3S/c19-15-5-2-1-4-13(15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-6-3-9-24-16/h1-9,11,22H,10,12H2,(H,20,21)
InChIKeyBZEIYHBWMZHHHO-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (PubChem CID 126852465) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
PubChem CID126852465
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC Name2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16ClNO3S/c19-15-5-2-1-4-13(15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-6-3-9-24-16/h1-9,11,22H,10,12H2,(H,20,21)
InChIKeyBZEIYHBWMZHHHO-UHFFFAOYSA-N
XLogP3.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 119101192
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-thiophen-2-ylprop-2-enamide
CID 171130567
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 129417010
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 121018452
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]-2,5-dimethylbenzamide
CID 124892781
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
CID 129418180

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (CID 126852465) is 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is O=C(Cc1ccccc1Cl)NCC(O)(c1ccoc1)c1cccs1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The InChIKey is BZEIYHBWMZHHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c19-15-5-2-1-4-13(15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-6-3-9-24-16/h1-9,11,22H,10,12H2,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide has a molecular weight of 361.85 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 126852465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).