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

C13H21ClN2O2S — CID 61469359

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S/c1-9(11-5-6-12(14)19-11)16-10(2)13(17)15-7-4-8-18-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyZJCGOVBWOQELCR-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.59
Rot. Bonds8

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

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide (PubChem CID 61469359) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
PubChem CID61469359
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2O2S/c1-9(11-5-6-12(14)19-11)16-10(2)13(17)15-7-4-8-18-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,17)
InChIKeyZJCGOVBWOQELCR-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 54956748
(2R)-2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-methylpropanamide
CID 103932076
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473794
N-(3-methoxypropyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide (CID 61469359) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZJCGOVBWOQELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-9(11-5-6-12(14)19-11)16-10(2)13(17)15-7-4-8-18-3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide?
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide has a molecular weight of 304.84 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 61469359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).