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

C14H24N2O2S — CID 106434975

IUPAC2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-5-10(2)16-14(18)11(3)15-8-13(17)12-6-7-19-9-12/h6-7,9-11,13,15,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyARKMXIIQFIEEIB-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.06
Rot. Bonds8

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

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 106434975) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
PubChem CID106434975
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCC(O)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-5-10(2)16-14(18)11(3)15-8-13(17)12-6-7-19-9-12/h6-7,9-11,13,15,17H,4-5,8H2,1-3H3,(H,16,18)
InChIKeyARKMXIIQFIEEIB-UHFFFAOYSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
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
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
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427
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
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide (CID 106434975) is 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCC(O)c1ccsc1.
What is the InChIKey of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is ARKMXIIQFIEEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-5-10(2)16-14(18)11(3)15-8-13(17)12-6-7-19-9-12/h6-7,9-11,13,15,17H,4-5,8H2,1-3H3,(H,16,18).
What are the key properties of 2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide?
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 284.42 g/mol, XLogP of 2.06, 8 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-pentan-2-ylpropanamide is sourced from PubChem (CID 106434975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).