trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide

C32H34N4O3S — CID 90912493

About trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 90912493) has the molecular formula C32H34N4O3S and a molecular weight of 554.72 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide
• PubChem CID: 90912493
• Molecular Formula: C32H34N4O3S
• Molecular Weight: 554.72 g/mol
• Exact Mass: 554.24
• IUPAC Name: trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(N(Cc4nccn4C)C(=O)[C@@H]4C[C@H]4c4ccccc4)cc32)cc1
• InChI: InChI=1S/C32H34N4O3S/c1-22-11-15-26(16-12-22)40(38,39)34-30-10-6-9-24-13-14-25(19-28(24)30)36(21-31-33-17-18-35(31)2)32(37)29-20-27(29)23-7-4-3-5-8-23/h3-5,7-8,11-19,27,29-30,34H,6,9-10,20-21H2,1-2H3/t27-,29+,30-/m0/s1
• InChIKey: SJRBYUUVGRGWTM-SHSRKSKBSA-N
• XLogP: 5.42
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.72
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide (CID 90912493) is trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccc(N(Cc4nccn4C)C(=O)[C@@H]4C[C@H]4c4ccccc4)cc32)cc1.

What is the InChIKey of trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide?

The InChIKey is SJRBYUUVGRGWTM-SHSRKSKBSA-N. The full InChI is InChI=1S/C32H34N4O3S/c1-22-11-15-26(16-12-22)40(38,39)34-30-10-6-9-24-13-14-25(19-28(24)30)36(21-31-33-17-18-35(31)2)32(37)29-20-27(29)23-7-4-3-5-8-23/h3-5,7-8,11-19,27,29-30,34H,6,9-10,20-21H2,1-2H3/t27-,29+,30-/m0/s1.

What are the key properties of trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 554.72 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 90912493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).