2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide

C12H20N2O2S — CID 114188547

IUPAC2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-8(2)14-12(16)9(3)13-6-11(15)10-4-5-17-7-10/h4-5,7-9,11,13,15H,6H2,1-3H3,(H,14,16)
InChIKeyIYYAJGSARJIPBG-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.28
Rot. Bonds6

About 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide (PubChem CID 114188547) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
PubChem CID114188547
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-8(2)14-12(16)9(3)13-6-11(15)10-4-5-17-7-10/h4-5,7-9,11,13,15H,6H2,1-3H3,(H,14,16)
InChIKeyIYYAJGSARJIPBG-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
CID 106434975
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
CID 106434972
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
methyl 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-methylbutanoate
CID 114188531
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
N-butan-2-yl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 114188533

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide (CID 114188547) is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCC(O)c1ccsc1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is IYYAJGSARJIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-8(2)14-12(16)9(3)13-6-11(15)10-4-5-17-7-10/h4-5,7-9,11,13,15H,6H2,1-3H3,(H,14,16).
What are the key properties of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide?
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 256.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114188547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).