N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide

C15H17NO3S2 — CID 126852682

IUPACN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)C1CCOC1
InChIInChI=1S/C15H17NO3S2/c17-11(8-16-15(18)10-5-6-19-9-10)12-3-4-14(21-12)13-2-1-7-20-13/h1-4,7,10-11,17H,5-6,8-9H2,(H,16,18)
InChIKeyGJZMTBXFXQHXBK-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.66
Rot. Bonds5

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

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 126852682) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID126852682
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide
SMILESO=C(NCC(O)c1ccc(-c2cccs2)s1)C1CCOC1
InChIInChI=1S/C15H17NO3S2/c17-11(8-16-15(18)10-5-6-19-9-10)12-3-4-14(21-12)13-2-1-7-20-13/h1-4,7,10-11,17H,5-6,8-9H2,(H,16,18)
InChIKeyGJZMTBXFXQHXBK-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852656
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]oxane-4-carboxamide
CID 95988654
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 126852531
N-benzyl-N'-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxamide
CID 126850873
5-chloro-N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 126852663
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]-4-propylthiadiazole-5-carboxamide
CID 126852668
(3R)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124704357
(3S)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124700640
(3S)-N-[2-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]ethyl]oxolane-3-carboxamide
CID 100723065
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide (CID 126852682) is N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide is O=C(NCC(O)c1ccc(-c2cccs2)s1)C1CCOC1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is GJZMTBXFXQHXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-11(8-16-15(18)10-5-6-19-9-10)12-3-4-14(21-12)13-2-1-7-20-13/h1-4,7,10-11,17H,5-6,8-9H2,(H,16,18).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide?
N-[2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.66, 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-2-ylthiophen-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 126852682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).