cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C25H22N4O3S — CID 146477972

IUPACcis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C25H22N4O3S/c1-16-14-26-15-18-5-8-19(12-21(16)18)28-25(30)23-13-22(23)17-6-9-20(10-7-17)33(31,32)29-24-4-2-3-11-27-24/h2-12,14-15,22-23H,13H2,1H3,(H,27,29)(H,28,30)/t22-,23-/m1/s1
InChIKeyIFYDROJSRZHNOS-DHIUTWEWSA-N
MW458.54 g/mol
LogP4.48
Rot. Bonds6

About cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 146477972) has the molecular formula C25H22N4O3S and a molecular weight of 458.54 g/mol. Its IUPAC name is cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID146477972
Molecular FormulaC25H22N4O3S
Molecular Weight458.54 g/mol
Exact Mass458.14
IUPAC Namecis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C25H22N4O3S/c1-16-14-26-15-18-5-8-19(12-21(16)18)28-25(30)23-13-22(23)17-6-9-20(10-7-17)33(31,32)29-24-4-2-3-11-27-24/h2-12,14-15,22-23H,13H2,1H3,(H,27,29)(H,28,30)/t22-,23-/m1/s1
InChIKeyIFYDROJSRZHNOS-DHIUTWEWSA-N
XLogP4.48
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036729
trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036938
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-methylisoquinolin-6-yl)-2-[4-[(6-piperidin-4-ylpyrazin-2-yl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 146477904
N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-chloro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 155370542
trans-(1R,2R)-N-(4-chloro-5-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 155370570
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
(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
sulfane;trans-(1S,2S)-N-isoquinolin-6-yl-2-phenylcyclopropane-1-carboxamide
CID 159567121
trans-(1R,2R)-N-isoquinolin-6-yl-2-[4-(piperidin-4-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 135374939

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 146477972) is cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is Cc1cncc2ccc(NC(=O)[C@@H]3C[C@@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12.
What is the InChIKey of cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is IFYDROJSRZHNOS-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H22N4O3S/c1-16-14-26-15-18-5-8-19(12-21(16)18)28-25(30)23-13-22(23)17-6-9-20(10-7-17)33(31,32)29-24-4-2-3-11-27-24/h2-12,14-15,22-23H,13H2,1H3,(H,27,29)(H,28,30)/t22-,23-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(4-methylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 146477972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).