N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

C20H15NO5S — CID 124892133

IUPACN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO5S/c22-15-10-17(26-16-5-2-1-4-14(15)16)19(23)21-12-20(24,13-7-8-25-11-13)18-6-3-9-27-18/h1-11,24H,12H2,(H,21,23)/t20-/m1/s1
InChIKeyMUOAUXQAOQPBSQ-HXUWFJFHSA-N
MW381.41 g/mol
LogP3.11
Rot. Bonds5

About N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide

N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 124892133) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID124892133
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC NameN-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C20H15NO5S/c22-15-10-17(26-16-5-2-1-4-14(15)16)19(23)21-12-20(24,13-7-8-25-11-13)18-6-3-9-27-18/h1-11,24H,12H2,(H,21,23)/t20-/m1/s1
InChIKeyMUOAUXQAOQPBSQ-HXUWFJFHSA-N
XLogP3.11
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-1H-indole-2-carboxamide
CID 124728029
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-[(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]-2,5-dimethylbenzamide
CID 124892781
2-(2-chlorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 126852465
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
2-ethylsulfanyl-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 129416706
1-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124760650

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide (CID 124892133) is N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is MUOAUXQAOQPBSQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15NO5S/c22-15-10-17(26-16-5-2-1-4-14(15)16)19(23)21-12-20(24,13-7-8-25-11-13)18-6-3-9-27-18/h1-11,24H,12H2,(H,21,23)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide?
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 124892133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).