N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide

C24H19NO4S — CID 129418180

IUPACN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H19NO4S/c26-23(25-15-24(27,16-11-12-28-14-16)21-10-5-13-30-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-14,22,27H,15H2,(H,25,26)/t24-/m0/s1
InChIKeyYDXXHIDRIFJVBJ-DEOSSOPVSA-N
MW417.49 g/mol
LogP4.63
Rot. Bonds5

About N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide (PubChem CID 129418180) has the molecular formula C24H19NO4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
PubChem CID129418180
Molecular FormulaC24H19NO4S
Molecular Weight417.49 g/mol
Exact Mass417.10
IUPAC NameN-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NC[C@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H19NO4S/c26-23(25-15-24(27,16-11-12-28-14-16)21-10-5-13-30-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-14,22,27H,15H2,(H,25,26)/t24-/m0/s1
InChIKeyYDXXHIDRIFJVBJ-DEOSSOPVSA-N
XLogP4.63
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
(3R)-N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129418313
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]-3-thiophen-2-ylprop-2-enamide
CID 171130567
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]-1H-indole-2-carboxamide
CID 124728029
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
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-[(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]-N'-(2-methylsulfanylphenyl)oxamide
CID 124760027

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide (CID 129418180) is N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide is O=C(NC[C@](O)(c1ccoc1)c1cccs1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide?
The InChIKey is YDXXHIDRIFJVBJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H19NO4S/c26-23(25-15-24(27,16-11-12-28-14-16)21-10-5-13-30-21)22-17-6-1-3-8-19(17)29-20-9-4-2-7-18(20)22/h1-14,22,27H,15H2,(H,25,26)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide?
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 129418180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).