ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

C33H36F2N4O3S — CID 142111604

About ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide

ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 142111604) has the molecular formula C33H36F2N4O3S and a molecular weight of 606.74 g/mol. Its IUPAC name is ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
• PubChem CID: 142111604
• Molecular Formula: C33H36F2N4O3S
• Molecular Weight: 606.74 g/mol
• Exact Mass: 606.25
• IUPAC Name: ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
• SMILES: CC.Cn1ccnc1CN(C(=O)C1CC1c1ccccc1F)c1ccc2c(c1)C(NS(=O)(=O)c1cccc(F)c1)CCC2
• InChI: InChI=1S/C31H30F2N4O3S.C2H6/c1-36-15-14-34-30(36)19-37(31(38)27-18-26(27)24-9-2-3-10-28(24)33)22-13-12-20-6-4-11-29(25(20)17-22)35-41(39,40)23-8-5-7-21(32)16-23;1-2/h2-3,5,7-10,12-17,26-27,29,35H,4,6,11,18-19H2,1H3;1-2H3
• InChIKey: PBHZNLFPPAVFFZ-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.74
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?

The IUPAC name of ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 142111604) is ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?

The canonical SMILES for ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is CC.Cn1ccnc1CN(C(=O)C1CC1c1ccccc1F)c1ccc2c(c1)C(NS(=O)(=O)c1cccc(F)c1)CCC2.

What is the InChIKey of ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?

The InChIKey is PBHZNLFPPAVFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F2N4O3S.C2H6/c1-36-15-14-34-30(36)19-37(31(38)27-18-26(27)24-9-2-3-10-28(24)33)22-13-12-20-6-4-11-29(25(20)17-22)35-41(39,40)23-8-5-7-21(32)16-23;1-2/h2-3,5,7-10,12-17,26-27,29,35H,4,6,11,18-19H2,1H3;1-2H3.

What are the key properties of ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide?

ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 606.74 g/mol, XLogP of 6.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(2-fluorophenyl)-N-[8-[(3-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142111604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).