cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C34H32F3N3O3S — CID 59094190

About cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59094190) has the molecular formula C34H32F3N3O3S and a molecular weight of 619.71 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• PubChem CID: 59094190
• Molecular Formula: C34H32F3N3O3S
• Molecular Weight: 619.71 g/mol
• Exact Mass: 619.21
• IUPAC Name: cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
• SMILES: Cc1cccc(CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccccc2)CCC3)n1
• InChI: InChI=1S/C34H32F3N3O3S/c1-22-7-5-9-26(38-22)21-40(33(41)31-20-29(31)24-13-16-25(17-14-24)34(35,36)37)27-18-15-23-8-6-12-32(30(23)19-27)39-44(42,43)28-10-3-2-4-11-28/h2-5,7,9-11,13-19,29,31-32,39H,6,8,12,20-21H2,1H3/t29-,31-,32+/m1/s1
• InChIKey: SUFBEYXOJUIPAT-UVQPCEMDSA-N
• XLogP: 7.10
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.71
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 59094190) is cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is Cc1cccc(CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccc3c(c2)[C@@H](NS(=O)(=O)c2ccccc2)CCC3)n1.

What is the InChIKey of cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

The InChIKey is SUFBEYXOJUIPAT-UVQPCEMDSA-N. The full InChI is InChI=1S/C34H32F3N3O3S/c1-22-7-5-9-26(38-22)21-40(33(41)31-20-29(31)24-13-16-25(17-14-24)34(35,36)37)27-18-15-23-8-6-12-32(30(23)19-27)39-44(42,43)28-10-3-2-4-11-28/h2-5,7,9-11,13-19,29,31-32,39H,6,8,12,20-21H2,1H3/t29-,31-,32+/m1/s1.

What are the key properties of cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?

cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 619.71 g/mol, XLogP of 7.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2S)-N-[(8S)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59094190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).