N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide

C24H19NO3S2 — CID 131702724

IUPACN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2ccsc2)s1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H19NO3S2/c26-18(22-10-9-21(30-22)15-11-12-29-14-15)13-25-24(27)23-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)23/h1-12,14,18,23,26H,13H2,(H,25,27)
InChIKeyAFSBBFJQDOZFSL-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.56
Rot. Bonds5

About N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide

N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 131702724) has the molecular formula C24H19NO3S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID131702724
Molecular FormulaC24H19NO3S2
Molecular Weight433.55 g/mol
Exact Mass433.08
IUPAC NameN-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2ccsc2)s1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H19NO3S2/c26-18(22-10-9-21(30-22)15-11-12-29-14-15)13-25-24(27)23-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)23/h1-12,14,18,23,26H,13H2,(H,25,27)
InChIKeyAFSBBFJQDOZFSL-UHFFFAOYSA-N
XLogP5.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 164635798
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 131702029
N'-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 131702053
3-(2-bromophenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]propanamide
CID 126854849
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
CID 71787480
(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96518342
[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
CID 2550517
N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 42948394
N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
CID 3584771
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
CID 126852682

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide (CID 131702724) is N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide is O=C(NCC(O)c1ccc(-c2ccsc2)s1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is AFSBBFJQDOZFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3S2/c26-18(22-10-9-21(30-22)15-11-12-29-14-15)13-25-24(27)23-16-5-1-3-7-19(16)28-20-8-4-2-6-17(20)23/h1-12,14,18,23,26H,13H2,(H,25,27).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 131702724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).