N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide

C15H17NO2S2 — CID 78801765

IUPACN-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-2-16(11-12-5-3-9-19-12)15(18)8-7-13(17)14-6-4-10-20-14/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyPJJKXJWNOBFGTP-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.82
Rot. Bonds7

About N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide

N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 78801765) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID78801765
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
SMILESCCN(Cc1cccs1)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H17NO2S2/c1-2-16(11-12-5-3-9-19-12)15(18)8-7-13(17)14-6-4-10-20-14/h3-6,9-10H,2,7-8,11H2,1H3
InChIKeyPJJKXJWNOBFGTP-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
2-cyano-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 61437413
N-ethyl-2-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 103602479
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-thiophen-2-ylbutanamide
CID 25313719
1,3-diethyl-1-methyl-3-(thiophen-2-ylmethyl)urea
CID 116654591
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
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
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide (CID 78801765) is N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide is CCN(Cc1cccs1)C(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is PJJKXJWNOBFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-2-16(11-12-5-3-9-19-12)15(18)8-7-13(17)14-6-4-10-20-14/h3-6,9-10H,2,7-8,11H2,1H3.
What are the key properties of N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide?
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 307.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 78801765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).