N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide

C23H28FN3O3S — CID 3219981

IUPACN'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C23H28FN3O3S/c1-23(2,3)26-20(28)19(18-13-8-14-31-18)27(17-12-7-6-11-16(17)24)22(30)21(29)25-15-9-4-5-10-15/h6-8,11-15,19H,4-5,9-10H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyUNMPNOBWPAHVEG-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.93
Rot. Bonds5

About N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide

N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide (PubChem CID 3219981) has the molecular formula C23H28FN3O3S and a molecular weight of 445.56 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide
PubChem CID3219981
Molecular FormulaC23H28FN3O3S
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC NameN'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide
SMILESCC(C)(C)NC(=O)C(c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C23H28FN3O3S/c1-23(2,3)26-20(28)19(18-13-8-14-31-18)27(17-12-7-6-11-16(17)24)22(30)21(29)25-15-9-4-5-10-15/h6-8,11-15,19H,4-5,9-10H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyUNMPNOBWPAHVEG-UHFFFAOYSA-N
XLogP3.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
N-(2-fluorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965775
2-[methyl(thiophen-2-ylmethyl)amino]-N-phenylpropanamide
CID 16327019
N-(4-fluorophenyl)-2-(1-methyl-5-oxo-3-(thiophen-2-ylmethyl)-2-thioxoimidazolidin-4-yl)acetamide
CID 3498692
N-Cyclopentyl-2-[N-(3-fluorophenyl)-2-(thiophen-2-YL)acetamido]-2-(2-methylphenyl)acetamide
CID 3202856
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216707
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216714
N-tert-butyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56832448
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 56923423
N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057382
(2S)-N-cyclohexyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 68057634
N-cyclobutyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 71459238

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide?
The IUPAC name of N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide (CID 3219981) is N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide.
What is the SMILES notation for N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide?
The canonical SMILES for N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide is CC(C)(C)NC(=O)C(c1cccs1)N(C(=O)C(=O)NC1CCCC1)c1ccccc1F.
What is the InChIKey of N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide?
The InChIKey is UNMPNOBWPAHVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3S/c1-23(2,3)26-20(28)19(18-13-8-14-31-18)27(17-12-7-6-11-16(17)24)22(30)21(29)25-15-9-4-5-10-15/h6-8,11-15,19H,4-5,9-10H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide?
N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide has a molecular weight of 445.56 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)-2-oxo-1-thiophen-2-ylethyl]-N-cyclopentyl-N'-(2-fluorophenyl)oxamide is sourced from PubChem (CID 3219981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).