N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide

C14H24N2OS — CID 43420221

IUPACN-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NC(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17)
InChIKeyAXGISBOLWGPOQE-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.09
Rot. Bonds7

About N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide

N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide (PubChem CID 43420221) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
PubChem CID43420221
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
SMILESCCCC(C)NC(=O)C(C)NC(C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17)
InChIKeyAXGISBOLWGPOQE-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81409142
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81401011
2-(aminomethyl)-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81407804
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 124625732
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]pentan-1-amine
CID 81398925

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide (CID 43420221) is N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide is CCCC(C)NC(=O)C(C)NC(C)c1cccs1.
What is the InChIKey of N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide?
The InChIKey is AXGISBOLWGPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-7-10(2)15-14(17)12(4)16-11(3)13-8-6-9-18-13/h6,8-12,16H,5,7H2,1-4H3,(H,15,17).
What are the key properties of N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide?
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide has a molecular weight of 268.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 43420221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).