2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide

C10H14N2O3S — CID 118271733

IUPAC2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide
SMILESNC(=O)CC(O)C(=O)NCCc1cccs1
InChIInChI=1S/C10H14N2O3S/c11-9(14)6-8(13)10(15)12-4-3-7-2-1-5-16-7/h1-2,5,8,13H,3-4,6H2,(H2,11,14)(H,12,15)
InChIKeyASJCWUWGNMWWGE-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.36
Rot. Bonds6

About 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide

2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide (PubChem CID 118271733) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide
PubChem CID118271733
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide
SMILESNC(=O)CC(O)C(=O)NCCc1cccs1
InChIInChI=1S/C10H14N2O3S/c11-9(14)6-8(13)10(15)12-4-3-7-2-1-5-16-7/h1-2,5,8,13H,3-4,6H2,(H2,11,14)(H,12,15)
InChIKeyASJCWUWGNMWWGE-UHFFFAOYSA-N
XLogP-0.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide?
The IUPAC name of 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide (CID 118271733) is 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide.
What is the SMILES notation for 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide?
The canonical SMILES for 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide is NC(=O)CC(O)C(=O)NCCc1cccs1.
What is the InChIKey of 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide?
The InChIKey is ASJCWUWGNMWWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-9(14)6-8(13)10(15)12-4-3-7-2-1-5-16-7/h1-2,5,8,13H,3-4,6H2,(H2,11,14)(H,12,15).
What are the key properties of 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide?
2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide has a molecular weight of 242.30 g/mol, XLogP of -0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-thiophen-2-ylethyl)butanediamide is sourced from PubChem (CID 118271733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).