N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide

C15H17NO3S2 — CID 121170158

IUPACN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C1CCOC1
InChIInChI=1S/C15H17NO3S2/c17-14(11-3-5-19-8-11)16-10-15(18,12-4-7-20-9-12)13-2-1-6-21-13/h1-2,4,6-7,9,11,18H,3,5,8,10H2,(H,16,17)
InChIKeyWDCLWQDHWGPKDX-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.20
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide (PubChem CID 121170158) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide
PubChem CID121170158
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide
SMILESO=C(NCC(O)(c1ccsc1)c1cccs1)C1CCOC1
InChIInChI=1S/C15H17NO3S2/c17-14(11-3-5-19-8-11)16-10-15(18,12-4-7-20-9-12)13-2-1-6-21-13/h1-2,4,6-7,9,11,18H,3,5,8,10H2,(H,16,17)
InChIKeyWDCLWQDHWGPKDX-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)adamantane-1-carboxamide
CID 121170078
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 124759456
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
(E)-3-(furan-3-yl)-N-[(2S)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]prop-2-enamide
CID 124875177
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
(1R)-N-(2-hydroxy-2,2-dithiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 129356482
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide (CID 121170158) is N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide is O=C(NCC(O)(c1ccsc1)c1cccs1)C1CCOC1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
The InChIKey is WDCLWQDHWGPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c17-14(11-3-5-19-8-11)16-10-15(18,12-4-7-20-9-12)13-2-1-6-21-13/h1-2,4,6-7,9,11,18H,3,5,8,10H2,(H,16,17).
What are the key properties of N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide?
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.20, 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-thiophen-2-yl-2-thiophen-3-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 121170158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).