N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide

C13H21ClN2OS — CID 112688580

IUPACN-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-9(10-5-6-11(14)18-10)15-8-7-12(17)16-13(2,3)4/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyAOEIOVRBTZGRAE-UHFFFAOYSA-N
MW288.84 g/mol
LogP3.36
Rot. Bonds5

About N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide

N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide (PubChem CID 112688580) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
PubChem CID112688580
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC NameN-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
SMILESCC(NCCC(=O)NC(C)(C)C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-9(10-5-6-11(14)18-10)15-8-7-12(17)16-13(2,3)4/h5-6,9,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyAOEIOVRBTZGRAE-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(1-thiophen-2-ylethylamino)propanamide
CID 112688583
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
tert-butyl N-[2-[1-(5-chlorothiophen-2-yl)ethylamino]ethyl]carbamate
CID 115607022
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
CID 43439192
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141725
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide (CID 112688580) is N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide is CC(NCCC(=O)NC(C)(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide?
The InChIKey is AOEIOVRBTZGRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-9(10-5-6-11(14)18-10)15-8-7-12(17)16-13(2,3)4/h5-6,9,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide?
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide has a molecular weight of 288.84 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide is sourced from PubChem (CID 112688580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).