N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

C47H56F8N8O9S — CID 10148261

About N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide

N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (PubChem CID 10148261) has the molecular formula C47H56F8N8O9S and a molecular weight of 1061.06 g/mol. Its IUPAC name is N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• PubChem CID: 10148261
• Molecular Formula: C47H56F8N8O9S
• Molecular Weight: 1061.06 g/mol
• Exact Mass: 1060.38
• IUPAC Name: N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
• SMILES: CCC(C)C(NC(=O)C(CC(C)C)NC(=O)c1cnccn1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C47H56F8N8O9S/c1-5-26(4)39(62-42(67)34(16-25(2)3)60-43(68)36-23-56-14-15-57-36)44(69)61-35(17-27-10-7-6-8-11-27)41(66)59-33(22-37(48)49)40(65)45(70)58-24-38(64)63-73(71,72)32-13-9-12-28(20-32)29-18-30(46(50,51)52)21-31(19-29)47(53,54)55/h9,12-15,18-21,23,25-27,33-35,37,39H,5-8,10-11,16-17,22,24H2,1-4H3,(H,58,70)(H,59,66)(H,60,68)(H,61,69)(H,62,67)(H,63,64)
• InChIKey: ZNQZQNFDYPVCRG-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 251.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 23
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1061.06
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The IUPAC name of N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide (CID 10148261) is N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is CCC(C)C(NC(=O)C(CC(C)C)NC(=O)c1cnccn1)C(=O)NC(CC1CCCCC1)C(=O)NC(CC(F)F)C(=O)C(=O)NCC(=O)NS(=O)(=O)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.

What is the InChIKey of N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

The InChIKey is ZNQZQNFDYPVCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H56F8N8O9S/c1-5-26(4)39(62-42(67)34(16-25(2)3)60-43(68)36-23-56-14-15-57-36)44(69)61-35(17-27-10-7-6-8-11-27)41(66)59-33(22-37(48)49)40(65)45(70)58-24-38(64)63-73(71,72)32-13-9-12-28(20-32)29-18-30(46(50,51)52)21-31(19-29)47(53,54)55/h9,12-15,18-21,23,25-27,33-35,37,39H,5-8,10-11,16-17,22,24H2,1-4H3,(H,58,70)(H,59,66)(H,60,68)(H,61,69)(H,62,67)(H,63,64).

What are the key properties of N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide?

N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide has a molecular weight of 1061.06 g/mol, XLogP of 5.64, 23 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-[[1-[[2-[[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]sulfonylamino]-2-oxoethyl]amino]-5,5-difluoro-1,2-dioxopentan-3-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 10148261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).