N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

C25H25FN2O2S — CID 3202937

IUPACN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2S/c26-19-10-6-13-21(16-19)28(23(29)17-22-14-7-15-31-22)24(18-8-2-1-3-9-18)25(30)27-20-11-4-5-12-20/h1-3,6-10,13-16,20,24H,4-5,11-12,17H2,(H,27,30)
InChIKeyXMPVNJHLARNKEC-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.26
Rot. Bonds7

About N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3202937) has the molecular formula C25H25FN2O2S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3202937
Molecular FormulaC25H25FN2O2S
Molecular Weight436.55 g/mol
Exact Mass436.16
IUPAC NameN-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESO=C(NC1CCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
InChIInChI=1S/C25H25FN2O2S/c26-19-10-6-13-21(16-19)28(23(29)17-22-14-7-15-31-22)24(18-8-2-1-3-9-18)25(30)27-20-11-4-5-12-20/h1-3,6-10,13-16,20,24H,4-5,11-12,17H2,(H,27,30)
InChIKeyXMPVNJHLARNKEC-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8197605
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CID 9074003
N-[3-[[2-[(dipropylamino)methyl]phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 151826414
N-cyclohexyl-3-[(4-fluorobenzoyl)amino]-2-thiophenecarboxamide
CID 4204024
4-thiophen-3-yl-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzamide
CID 155567775
2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-7-yl)-2-thiophen-3-ylacetamide
CID 162645243
4-[[2-[Ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetyl]amino]benzamide
CID 4848136
CID 122196547
CID 122196547
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 3202856
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CID 3216707
N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide
CID 3216714
N-[[5-(2-fluorophenyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
CID 19766220

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (CID 3202937) is N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is O=C(NC1CCCC1)C(c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1.
What is the InChIKey of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is XMPVNJHLARNKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2S/c26-19-10-6-13-21(16-19)28(23(29)17-22-14-7-15-31-22)24(18-8-2-1-3-9-18)25(30)27-20-11-4-5-12-20/h1-3,6-10,13-16,20,24H,4-5,11-12,17H2,(H,27,30).
What are the key properties of N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 436.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3202937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).