N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide

C16H23NO3S — CID 91760151

IUPACN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C16H23NO3S/c18-16(9-12-4-8-21-11-12)17-15-3-7-20-10-14(15)13-1-5-19-6-2-13/h4,8,11,13-15H,1-3,5-7,9-10H2,(H,17,18)/t14-,15-/m0/s1
InChIKeyISXHVCGYJSYEJJ-GJZGRUSLSA-N
MW309.43 g/mol
LogP2.24
Rot. Bonds4

About N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide

N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 91760151) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide
PubChem CID91760151
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N[C@H]1CCOC[C@H]1C1CCOCC1
InChIInChI=1S/C16H23NO3S/c18-16(9-12-4-8-21-11-12)17-15-3-7-20-10-14(15)13-1-5-19-6-2-13/h4,8,11,13-15H,1-3,5-7,9-10H2,(H,17,18)/t14-,15-/m0/s1
InChIKeyISXHVCGYJSYEJJ-GJZGRUSLSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide (CID 91760151) is N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N[C@H]1CCOC[C@H]1C1CCOCC1.
What is the InChIKey of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is ISXHVCGYJSYEJJ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO3S/c18-16(9-12-4-8-21-11-12)17-15-3-7-20-10-14(15)13-1-5-19-6-2-13/h4,8,11,13-15H,1-3,5-7,9-10H2,(H,17,18)/t14-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide?
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 309.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91760151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).