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

C34H35N3O3S — CID 59094269

IUPACcis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(N(Cc4cccc(C)n4)C(=O)[C@@H]4C[C@@H]4c4ccccc4)cc32)cc1
InChIInChI=1S/C34H35N3O3S/c1-23-14-18-29(19-15-23)41(39,40)36-33-13-7-11-26-16-17-28(20-31(26)33)37(22-27-12-6-8-24(2)35-27)34(38)32-21-30(32)25-9-4-3-5-10-25/h3-6,8-10,12,14-20,30,32-33,36H,7,11,13,21-22H2,1-2H3/t30-,32-,33-/m1/s1
InChIKeyDIQATOLNAWWNSD-JORIVFIJSA-N
MW565.74 g/mol
LogP6.39
Rot. Bonds8

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

cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 59094269) has the molecular formula C34H35N3O3S and a molecular weight of 565.74 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID59094269
Molecular FormulaC34H35N3O3S
Molecular Weight565.74 g/mol
Exact Mass565.24
IUPAC Namecis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(N(Cc4cccc(C)n4)C(=O)[C@@H]4C[C@@H]4c4ccccc4)cc32)cc1
InChIInChI=1S/C34H35N3O3S/c1-23-14-18-29(19-15-23)41(39,40)36-33-13-7-11-26-16-17-28(20-31(26)33)37(22-27-12-6-8-24(2)35-27)34(38)32-21-30(32)25-9-4-3-5-10-25/h3-6,8-10,12,14-20,30,32-33,36H,7,11,13,21-22H2,1-2H3/t30-,32-,33-/m1/s1
InChIKeyDIQATOLNAWWNSD-JORIVFIJSA-N
XLogP6.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.74
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-[8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094245
trans-(1R,2R)-N-[(3S)-3-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 91121426
cis-(1S,2R)-N-[(3S)-3-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59914130
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
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
cis-(1S,2R)-N-[(8R)-8-(benzenesulfonamido)-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 59094152
(3S)-3-(4-fluorophenyl)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 59063712
(3R)-3-(4-fluorophenyl)-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 59063656
trans-(1S,2S)-2-(3-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopropane-1-carboxamide
CID 91282696
N-[8-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 21358989
trans-(1R,2R)-N-[(8S)-8-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 91477841
trans-(1S,2S)-2-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopropane-1-carboxamide
CID 91268363

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 59094269) is cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccc(N(Cc4cccc(C)n4)C(=O)[C@@H]4C[C@@H]4c4ccccc4)cc32)cc1.
What is the InChIKey of cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DIQATOLNAWWNSD-JORIVFIJSA-N. The full InChI is InChI=1S/C34H35N3O3S/c1-23-14-18-29(19-15-23)41(39,40)36-33-13-7-11-26-16-17-28(20-31(26)33)37(22-27-12-6-8-24(2)35-27)34(38)32-21-30(32)25-9-4-3-5-10-25/h3-6,8-10,12,14-20,30,32-33,36H,7,11,13,21-22H2,1-2H3/t30-,32-,33-/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 565.74 g/mol, XLogP of 6.39, 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-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59094269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).