N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide

C22H25F3N2O3S — CID 3153715

IUPACN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-30-17-10-8-15(9-11-17)12-13-27(21(29)22(23,24)25)19(18-7-4-14-31-18)20(28)26-16-5-2-3-6-16/h4,7-11,14,16,19H,2-3,5-6,12-13H2,1H3,(H,26,28)
InChIKeyBFOLEZZAZPZTPO-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.49
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide

N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 3153715) has the molecular formula C22H25F3N2O3S and a molecular weight of 454.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID3153715
Molecular FormulaC22H25F3N2O3S
Molecular Weight454.51 g/mol
Exact Mass454.15
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1
InChIInChI=1S/C22H25F3N2O3S/c1-30-17-10-8-15(9-11-17)12-13-27(21(29)22(23,24)25)19(18-7-4-14-31-18)20(28)26-16-5-2-3-6-16/h4,7-11,14,16,19H,2-3,5-6,12-13H2,1H3,(H,26,28)
InChIKeyBFOLEZZAZPZTPO-UHFFFAOYSA-N
XLogP4.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
2-(4-Isopropyl-phenyl)-N-(4-methoxy-benzyl)-2-[(2-methoxy-ethyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3210926
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
N-[2-(4-methoxyphenyl)ethyl]-2-(2-thienyl)acetamide
CID 885121
US9776991, Example 38
CID 118113055
N-[(4-methoxyphenyl)methyl]-5-(2,2,3,3,3-pentafluoropropanoyl)thiophene-2-carboxamide
CID 25023806
N-[2-(4-methoxyphenyl)ethyl]-1-(2-thienylcarbonyl)-4-piperidinecarboxamide
CID 1075567
2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2124830
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382
N-(4-Methoxy-benzyl)-2-[(2-methoxy-ethyl)-(2-thiophen-2-yl-acetyl)-amino]-2-p-tolyl-acetamide
CID 3210916
2-(4-Ethyl-phenyl)-N-(4-methoxy-benzyl)-2-[(2-methoxy-ethyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3210928

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 3153715) is N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is BFOLEZZAZPZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3S/c1-30-17-10-8-15(9-11-17)12-13-27(21(29)22(23,24)25)19(18-7-4-14-31-18)20(28)26-16-5-2-3-6-16/h4,7-11,14,16,19H,2-3,5-6,12-13H2,1H3,(H,26,28).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide?
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 454.51 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-2,2,2-trifluoro-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3153715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).