2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide

C24H24FNO3S2 — CID 19877423

IUPAC2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C(=O)C(C(=O)NCc1cccs1)C(Cc1cccs1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3S2/c1-15(2)22(27)21(24(29)26-14-19-6-4-12-31-19)20(13-18-5-3-11-30-18)23(28)16-7-9-17(25)10-8-16/h3-12,15,20-21H,13-14H2,1-2H3,(H,26,29)
InChIKeyZGKYUJOJZFCGIL-UHFFFAOYSA-N
MW457.59 g/mol
LogP5.15
Rot. Bonds10

About 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide

2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 19877423) has the molecular formula C24H24FNO3S2 and a molecular weight of 457.59 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID19877423
Molecular FormulaC24H24FNO3S2
Molecular Weight457.59 g/mol
Exact Mass457.12
IUPAC Name2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC(C)C(=O)C(C(=O)NCc1cccs1)C(Cc1cccs1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3S2/c1-15(2)22(27)21(24(29)26-14-19-6-4-12-31-19)20(13-18-5-3-11-30-18)23(28)16-7-9-17(25)10-8-16/h3-12,15,20-21H,13-14H2,1-2H3,(H,26,29)
InChIKeyZGKYUJOJZFCGIL-UHFFFAOYSA-N
XLogP5.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide 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

2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
4-(4-fluorophenyl)-4-oxo-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 86930480
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-thiophen-2-ylethyl)propanamide
CID 112773422
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 9059987
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide (CID 19877423) is 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide is CC(C)C(=O)C(C(=O)NCc1cccs1)C(Cc1cccs1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is ZGKYUJOJZFCGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3S2/c1-15(2)22(27)21(24(29)26-14-19-6-4-12-31-19)20(13-18-5-3-11-30-18)23(28)16-7-9-17(25)10-8-16/h3-12,15,20-21H,13-14H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide?
2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide has a molecular weight of 457.59 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-1-oxo-3-thiophen-2-ylpropan-2-yl]-4-methyl-3-oxo-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 19877423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).