N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide

C15H23NO3S — CID 75450594

IUPACN-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1(CCO)CCOCC1
InChIInChI=1S/C15H23NO3S/c17-9-6-15(7-10-19-11-8-15)16-14(18)5-1-3-13-4-2-12-20-13/h2,4,12,17H,1,3,5-11H2,(H,16,18)
InChIKeyIULDNWWBEUAEMA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.12
Rot. Bonds7

About N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide

N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide (PubChem CID 75450594) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide
PubChem CID75450594
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1(CCO)CCOCC1
InChIInChI=1S/C15H23NO3S/c17-9-6-15(7-10-19-11-8-15)16-14(18)5-1-3-13-4-2-12-20-13/h2,4,12,17H,1,3,5-11H2,(H,16,18)
InChIKeyIULDNWWBEUAEMA-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide (CID 75450594) is N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC1(CCO)CCOCC1.
What is the InChIKey of N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide?
The InChIKey is IULDNWWBEUAEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c17-9-6-15(7-10-19-11-8-15)16-14(18)5-1-3-13-4-2-12-20-13/h2,4,12,17H,1,3,5-11H2,(H,16,18).
What are the key properties of N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide?
N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide has a molecular weight of 297.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)oxan-4-yl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 75450594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).