trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C26H24N4O3S — CID 170036938

IUPACtrans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3C(C)[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C26H24N4O3S/c1-16-14-27-15-19-6-9-20(13-22(16)19)29-26(31)25-17(2)24(25)18-7-10-21(11-8-18)34(32,33)30-23-5-3-4-12-28-23/h3-15,17,24-25H,1-2H3,(H,28,30)(H,29,31)/t17?,24-,25+/m0/s1
InChIKeyFAGVMFOROKTJKV-WYSNEBGWSA-N
MW472.57 g/mol
LogP4.73
Rot. Bonds6

About trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 170036938) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID170036938
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Nametrans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCc1cncc2ccc(NC(=O)[C@@H]3C(C)[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12
InChIInChI=1S/C26H24N4O3S/c1-16-14-27-15-19-6-9-20(13-22(16)19)29-26(31)25-17(2)24(25)18-7-10-21(11-8-18)34(32,33)30-23-5-3-4-12-28-23/h3-15,17,24-25H,1-2H3,(H,28,30)(H,29,31)/t17?,24-,25+/m0/s1
InChIKeyFAGVMFOROKTJKV-WYSNEBGWSA-N
XLogP4.73
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[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,2R)-N-(4-ethylisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 170036729
2-but-2-en-2-yl-N-isoquinolin-6-yl-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 142446800
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
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106
4-(methanesulfonamido)-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 30396142
1-ethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501424

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 170036938) is trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is Cc1cncc2ccc(NC(=O)[C@@H]3C(C)[C@H]3c3ccc(S(=O)(=O)Nc4ccccn4)cc3)cc12.
What is the InChIKey of trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is FAGVMFOROKTJKV-WYSNEBGWSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-16-14-27-15-19-6-9-20(13-22(16)19)29-26(31)25-17(2)24(25)18-7-10-21(11-8-18)34(32,33)30-23-5-3-4-12-28-23/h3-15,17,24-25H,1-2H3,(H,28,30)(H,29,31)/t17?,24-,25+/m0/s1.
What are the key properties of trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2-methyl-N-(4-methylisoquinolin-6-yl)-3-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 170036938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).