N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone

C105H128F12N20O9S8 — CID 160657996

About N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone

N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 160657996) has the molecular formula C105H128F12N20O9S8 and a molecular weight of 2298.82 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 160657996
• Molecular Formula: C105H128F12N20O9S8
• Molecular Weight: 2298.82 g/mol
• Exact Mass: 2296.77
• IUPAC Name: N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
• SMILES: C.C=S(C)(=O)N(CC(C)C)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.C=S(C)(=O)N(CC1CC1)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.C=S(C)(=O)N(c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1)C(C)C.CS(=O)(=O)N(CC1CCCC1)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1
• InChI: InChI=1S/C27H32F3N5O3S2.C26H30F3N5O2S2.C26H32F3N5O2S2.C25H30F3N5O2S2.CH4/c1-40(37,38)35(17-20-4-2-3-5-20)21-8-6-19(7-9-21)14-24(36)33-10-12-34(13-11-33)25-23-15-22(16-27(28,29)30)39-26(23)32-18-31-25;1-38(2,36)34(16-19-3-4-19)20-7-5-18(6-8-20)13-23(35)32-9-11-33(12-10-32)24-22-14-21(15-26(27,28)29)37-25(22)31-17-30-24;1-18(2)16-34(38(3,4)36)20-7-5-19(6-8-20)13-23(35)32-9-11-33(12-10-32)24-22-14-21(15-26(27,28)29)37-25(22)31-17-30-24;1-17(2)33(37(3,4)35)19-7-5-18(6-8-19)13-22(34)31-9-11-32(12-10-31)23-21-14-20(15-25(26,27)28)36-24(21)30-16-29-23;/h6-9,15,18,20H,2-5,10-14,16-17H2,1H3;5-8,14,17,19H,1,3-4,9-13,15-16H2,2H3;5-8,14,17-18H,3,9-13,15-16H2,1-2,4H3;5-8,14,16-17H,3,9-13,15H2,1-2,4H3;1H4
• InChIKey: RLHMRCZSOQMDKF-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 295.63 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.82
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 160657996) is N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is C.C=S(C)(=O)N(CC(C)C)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.C=S(C)(=O)N(CC1CC1)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.C=S(C)(=O)N(c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1)C(C)C.CS(=O)(=O)N(CC1CCCC1)c1ccc(CC(=O)N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)cc1.

What is the InChIKey of N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The InChIKey is RLHMRCZSOQMDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N5O3S2.C26H30F3N5O2S2.C26H32F3N5O2S2.C25H30F3N5O2S2.CH4/c1-40(37,38)35(17-20-4-2-3-5-20)21-8-6-19(7-9-21)14-24(36)33-10-12-34(13-11-33)25-23-15-22(16-27(28,29)30)39-26(23)32-18-31-25;1-38(2,36)34(16-19-3-4-19)20-7-5-18(6-8-20)13-23(35)32-9-11-33(12-10-32)24-22-14-21(15-26(27,28)29)37-25(22)31-17-30-24;1-18(2)16-34(38(3,4)36)20-7-5-19(6-8-20)13-23(35)32-9-11-33(12-10-32)24-22-14-21(15-26(27,28)29)37-25(22)31-17-30-24;1-17(2)33(37(3,4)35)19-7-5-18(6-8-19)13-22(34)31-9-11-32(12-10-31)23-21-14-20(15-25(26,27)28)36-24(21)30-16-29-23;/h6-9,15,18,20H,2-5,10-14,16-17H2,1H3;5-8,14,17,19H,1,3-4,9-13,15-16H2,2H3;5-8,14,17-18H,3,9-13,15-16H2,1-2,4H3;5-8,14,16-17H,3,9-13,15H2,1-2,4H3;1H4.

What are the key properties of N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?

N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 2298.82 g/mol, XLogP of 18.02, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylmethyl)-N-[4-[2-oxo-2-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]phenyl]methanesulfonamide;2-[4-[cyclopropylmethyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;methane;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-(2-methylpropyl)amino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)-propan-2-ylamino]phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160657996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).