N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide

C12H19NO2S — CID 43573458

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)12(15)6-5-11-4-3-9-16-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyHLSXNKQECKJCOU-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.91
Rot. Bonds6

About N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide

N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide (PubChem CID 43573458) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
PubChem CID43573458
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCc1cccs1
InChIInChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)12(15)6-5-11-4-3-9-16-11/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyHLSXNKQECKJCOU-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-[2-[di(propan-2-yl)amino]ethyl]-3-thiophen-2-ylpropanamide
CID 78791751

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide (CID 43573458) is N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide is CC(C)N(CCO)C(=O)CCc1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide?
The InChIKey is HLSXNKQECKJCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-10(2)13(7-8-14)12(15)6-5-11-4-3-9-16-11/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide?
N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-yl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 43573458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).