N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide

C108H108Cl2F4N10O16S3 — CID 159907408

About N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide (PubChem CID 159907408) has the molecular formula C108H108Cl2F4N10O16S3 and a molecular weight of 2045.20 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide.

Molecular Properties

• Compound Name: N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide
• PubChem CID: 159907408
• Molecular Formula: C108H108Cl2F4N10O16S3
• Molecular Weight: 2045.20 g/mol
• Exact Mass: 2042.64
• IUPAC Name: N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide
• SMILES: C#CC(=O)N(c1ccc(Cl)c(Cl)c1)C(C(=O)NC1CCCC1)c1ccco1.C#CC(=O)N(c1ccc(OC)c(OC)c1)C(C(=O)NC1CCCC1)c1cccs1.C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NC1CCCC1)c1cccs1.C#CC(=O)N(c1cccc(C(F)(F)F)c1)C(C(=O)NC1CCCC1)c1ccc(F)cc1.C#CC(=O)N(c1cccc(OC)c1)C(C(=O)NC1CCCC1)c1cccs1
• InChI: InChI=1S/C23H20F4N2O2.2C22H24N2O4S.C21H22N2O3S.C20H18Cl2N2O3/c1-2-20(30)29(19-9-5-6-16(14-19)23(25,26)27)21(15-10-12-17(24)13-11-15)22(31)28-18-7-3-4-8-18;1-4-20(25)24(17-12-11-16(27-2)14-18(17)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15;1-4-20(25)24(16-11-12-17(27-2)18(14-16)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15;1-3-19(24)23(16-10-6-11-17(14-16)26-2)20(18-12-7-13-27-18)21(25)22-15-8-4-5-9-15;1-2-18(25)24(14-9-10-15(21)16(22)12-14)19(17-8-5-11-27-17)20(26)23-13-6-3-4-7-13/h1,5-6,9-14,18,21H,3-4,7-8H2,(H,28,31);2*1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26);1,6-7,10-15,20H,4-5,8-9H2,2H3,(H,22,25);1,5,8-13,19H,3-4,6-7H2,(H,23,26)
• InChIKey: NWTFHWIDFANNDY-UHFFFAOYSA-N
• XLogP: 19.55
• TPSA: 306.34 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 30
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2045.20
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide?

The IUPAC name of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide (CID 159907408) is N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide.

What is the SMILES notation for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide?

The canonical SMILES for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide is C#CC(=O)N(c1ccc(Cl)c(Cl)c1)C(C(=O)NC1CCCC1)c1ccco1.C#CC(=O)N(c1ccc(OC)c(OC)c1)C(C(=O)NC1CCCC1)c1cccs1.C#CC(=O)N(c1ccc(OC)cc1OC)C(C(=O)NC1CCCC1)c1cccs1.C#CC(=O)N(c1cccc(C(F)(F)F)c1)C(C(=O)NC1CCCC1)c1ccc(F)cc1.C#CC(=O)N(c1cccc(OC)c1)C(C(=O)NC1CCCC1)c1cccs1.

What is the InChIKey of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide?

The InChIKey is NWTFHWIDFANNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O2.2C22H24N2O4S.C21H22N2O3S.C20H18Cl2N2O3/c1-2-20(30)29(19-9-5-6-16(14-19)23(25,26)27)21(15-10-12-17(24)13-11-15)22(31)28-18-7-3-4-8-18;1-4-20(25)24(17-12-11-16(27-2)14-18(17)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15;1-4-20(25)24(16-11-12-17(27-2)18(14-16)28-3)21(19-10-7-13-29-19)22(26)23-15-8-5-6-9-15;1-3-19(24)23(16-10-6-11-17(14-16)26-2)20(18-12-7-13-27-18)21(25)22-15-8-4-5-9-15;1-2-18(25)24(14-9-10-15(21)16(22)12-14)19(17-8-5-11-27-17)20(26)23-13-6-3-4-7-13/h1,5-6,9-14,18,21H,3-4,7-8H2,(H,28,31);2*1,7,10-15,21H,5-6,8-9H2,2-3H3,(H,23,26);1,6-7,10-15,20H,4-5,8-9H2,2H3,(H,22,25);1,5,8-13,19H,3-4,6-7H2,(H,23,26).

What are the key properties of N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide?

N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide has a molecular weight of 2045.20 g/mol, XLogP of 19.55, 30 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]prop-2-ynamide;N-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(3,4-dichlorophenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3,4-dimethoxyphenyl)prop-2-ynamide;N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(3-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 159907408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).