3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide

C15H20N2OS2 — CID 62834920

IUPAC3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESCCNCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H20N2OS2/c1-2-16-8-7-15(18)17(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,16H,2,7-8,11-12H2,1H3
InChIKeyTVHKUOMHIHFVER-UHFFFAOYSA-N
MW308.47 g/mol
LogP3.34
Rot. Bonds8

About 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide

3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide (PubChem CID 62834920) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
PubChem CID62834920
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
SMILESCCNCCC(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C15H20N2OS2/c1-2-16-8-7-15(18)17(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,16H,2,7-8,11-12H2,1H3
InChIKeyTVHKUOMHIHFVER-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
6-acetamido-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 173199914
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
[2-[bis(thiophen-2-ylmethyl)amino]-2-oxoethyl] acetate
CID 134567543
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
N-ethyl-2-methyl-2-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 62848345

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide (CID 62834920) is 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide is CCNCCC(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide?
The InChIKey is TVHKUOMHIHFVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-2-16-8-7-15(18)17(11-13-5-3-9-19-13)12-14-6-4-10-20-14/h3-6,9-10,16H,2,7-8,11-12H2,1H3.
What are the key properties of 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide?
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 62834920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).