3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide

C12H20N2O2S — CID 106435427

IUPAC3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
SMILESCCNC(C)CC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-3-13-9(2)6-12(16)14-7-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyRJLQTDXQHJLLFW-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.29
Rot. Bonds7

About 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide

3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide (PubChem CID 106435427) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
PubChem CID106435427
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
SMILESCCNC(C)CC(=O)NCC(O)c1ccsc1
InChIInChI=1S/C12H20N2O2S/c1-3-13-9(2)6-12(16)14-7-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyRJLQTDXQHJLLFW-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-propyloxamide
CID 90496631
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
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

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide (CID 106435427) is 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide is CCNC(C)CC(=O)NCC(O)c1ccsc1.
What is the InChIKey of 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide?
The InChIKey is RJLQTDXQHJLLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-13-9(2)6-12(16)14-7-11(15)10-4-5-17-8-10/h4-5,8-9,11,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide?
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide has a molecular weight of 256.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide is sourced from PubChem (CID 106435427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).