trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C26H24N4O3S — CID 170036729

IUPACtrans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C26H24N4O3S/c1-2-17-15-27-16-19-6-9-20(13-22(17)19)29-26(31)24-14-23(24)18-7-10-21(11-8-18)34(32,33)30-25-5-3-4-12-28-25/h3-13,15-16,23-24H,2,14H2,1H3,(H,28,30)(H,29,31)/t23-,24+/m0/s1
InChIKeyZPRHGJOOCBVZCP-BJKOFHAPSA-N
MW472.57 g/mol
LogP4.74
Rot. Bonds7

About trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 170036729) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID170036729
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Nametrans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C26H24N4O3S/c1-2-17-15-27-16-19-6-9-20(13-22(17)19)29-26(31)24-14-23(24)18-7-10-21(11-8-18)34(32,33)30-25-5-3-4-12-28-25/h3-13,15-16,23-24H,2,14H2,1H3,(H,28,30)(H,29,31)/t23-,24+/m0/s1
InChIKeyZPRHGJOOCBVZCP-BJKOFHAPSA-N
XLogP4.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 146477972
trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036938
N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 155370542
trans-(1R,2R)-2-[4-[[5-[(dimethylamino)methyl]-2-pyridinyl]sulfamoyl]phenyl]-N-(4-methylisoquinolin-6-yl)cyclopropane-1-carboxamide
CID 170036776
trans-(1R,2R)-N-(4-chloro-5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 155370570
trans-(1R,2R)-N-(4-methylisoquinolin-6-yl)-2-[4-[(6-piperidin-4-ylpyrazin-2-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 146477904
4-(2-methylcyclopropyl)-N-pyridin-2-ylbenzenesulfonamide
CID 142447089
2-but-2-en-2-yl-N-isoquinolin-6-yl-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 142446800
[4-[(1R,2R)-2-[(4-chloroisoquinolin-6-yl)carbamoyl]cyclopropyl]phenyl]methyl N-(4-methylphenyl)sulfonylcarbamate
CID 142446825
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
(1R)-N-(8-chloronaphthalen-2-yl)-2-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide;(1R)-2-[4-(diaminomethylideneamino)sulfonylphenyl]-N-naphthalen-2-ylcyclopropane-1-carboxamide;(1R)-N-(1-fluoronaphthalen-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide;bis((1R)-2-[3-fluoro-4-(pyridin-2-ylsulfamoyl)phenyl]-N-naphthalen-2-ylcyclopropane-1-carboxamide);(1R)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]-N-naphthalen-2-ylcyclopropane-1-carboxamide;(1R)-N-(8-methylnaphthalen-2-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide;(1R)-N-naphthalen-2-yl-2-[4-(pyrimidin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 157464677

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 170036729) is trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is CCc1cncc2ccc(NC(=O)[C@@H]3C[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12.
What is the InChIKey of trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZPRHGJOOCBVZCP-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-2-17-15-27-16-19-6-9-20(13-22(17)19)29-26(31)24-14-23(24)18-7-10-21(11-8-18)34(32,33)30-25-5-3-4-12-28-25/h3-13,15-16,23-24H,2,14H2,1H3,(H,28,30)(H,29,31)/t23-,24+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170036729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).