N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide

C14H17NOS2 — CID 78801832

IUPACN-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1cccs1
InChIInChI=1S/C14H17NOS2/c1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyYLZSXANUYBFKJC-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.79
Rot. Bonds6

About N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 78801832) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID78801832
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC NameN-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
SMILESCCN(Cc1cccs1)C(=O)CCc1cccs1
InChIInChI=1S/C14H17NOS2/c1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyYLZSXANUYBFKJC-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 52572631
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
4-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 81087639
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide (CID 78801832) is N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide is CCN(Cc1cccs1)C(=O)CCc1cccs1.
What is the InChIKey of N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YLZSXANUYBFKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-2-15(11-13-6-4-10-18-13)14(16)8-7-12-5-3-9-17-12/h3-6,9-10H,2,7-8,11H2,1H3.
What are the key properties of N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide?
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 279.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 78801832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).