cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide

C34H38N4O3S — CID 59094270

About cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide

cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide (PubChem CID 59094270) has the molecular formula C34H38N4O3S and a molecular weight of 582.77 g/mol. Its IUPAC name is cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide
• PubChem CID: 59094270
• Molecular Formula: C34H38N4O3S
• Molecular Weight: 582.77 g/mol
• Exact Mass: 582.27
• IUPAC Name: cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide
• SMILES: Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(N(Cc4nccn4C)C(=O)[C@H]4[C@@H](c5ccccc5)C4(C)C)cc32)cc1
• InChI: InChI=1S/C34H38N4O3S/c1-23-13-17-27(18-14-23)42(40,41)36-29-12-8-11-24-15-16-26(21-28(24)29)38(22-30-35-19-20-37(30)4)33(39)32-31(34(32,2)3)25-9-6-5-7-10-25/h5-7,9-10,13-21,29,31-32,36H,8,11-12,22H2,1-4H3/t29-,31-,32-/m1/s1
• InChIKey: HDXPWGZTQIHYLF-AFEGNUHBSA-N
• XLogP: 6.06
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.77
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide (CID 59094270) is cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(N(Cc4nccn4C)C(=O)[C@H]4[C@@H](c5ccccc5)C4(C)C)cc32)cc1.

What is the InChIKey of cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide?

The InChIKey is HDXPWGZTQIHYLF-AFEGNUHBSA-N. The full InChI is InChI=1S/C34H38N4O3S/c1-23-13-17-27(18-14-23)42(40,41)36-29-12-8-11-24-15-16-26(21-28(24)29)38(22-30-35-19-20-37(30)4)33(39)32-31(34(32,2)3)25-9-6-5-7-10-25/h5-7,9-10,13-21,29,31-32,36H,8,11-12,22H2,1-4H3/t29-,31-,32-/m1/s1.

What are the key properties of cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide?

cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide has a molecular weight of 582.77 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59094270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).