(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide

C25H28N4O3S — CID 142446862

IUPAC(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1
InChIInChI=1S/C25H28N4O3S/c30-25(29-21-6-3-20-16-27-11-9-19(20)12-21)24-13-23(24)18-4-7-22(8-5-18)33(31,32)28-15-17-2-1-10-26-14-17/h3-9,11-12,16-17,23-24,26,28H,1-2,10,13-15H2,(H,29,30)/t17-,23?,24+/m0/s1
InChIKeyZUJRYKFJARKTIO-RHWLQSKTSA-N
MW464.59 g/mol
LogP3.25
Rot. Bonds7

About (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide

(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 142446862) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide
PubChem CID142446862
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1
InChIInChI=1S/C25H28N4O3S/c30-25(29-21-6-3-20-16-27-11-9-19(20)12-21)24-13-23(24)18-4-7-22(8-5-18)33(31,32)28-15-17-2-1-10-26-14-17/h3-9,11-12,16-17,23-24,26,28H,1-2,10,13-15H2,(H,29,30)/t17-,23?,24+/m0/s1
InChIKeyZUJRYKFJARKTIO-RHWLQSKTSA-N
XLogP3.25
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
3-Amino-n-(isoquinolin-6-yl)-2-phenylpropanamide
CID 46183900
(2S)-3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
CID 127031527
3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
CID 127031536
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
1-(2,4-dimethylphenyl)sulfonyl-N-isoquinolin-5-ylpiperidine-4-carboxamide
CID 29371674
N-((R)-6-((tert-butylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((S)-1-(isoquinolin-5-ylsulfonyl)piperidin-2-yl)acetamide
CID 44410254
4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-quinolin-7-ylethyl)benzamide
CID 71449439
(2R)-3-amino-N-isoquinolin-6-yl-2-phenylpropanamide
CID 127030609
(1R)-N-(4-fluoroisoquinolin-6-yl)-2-[4-(pyridin-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 142446822
(1R)-N-(4-chloroisoquinolin-6-yl)-2-[4-[(5-fluoro-2-pyridinyl)sulfamoyl]phenyl]cyclopropane-1-carboxamide
CID 146477965

Frequently Asked Questions

What is the IUPAC name of (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide (CID 142446862) is (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc2cnccc2c1)[C@@H]1CC1c1ccc(S(=O)(=O)NC[C@H]2CCCNC2)cc1.
What is the InChIKey of (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is ZUJRYKFJARKTIO-RHWLQSKTSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-25(29-21-6-3-20-16-27-11-9-19(20)12-21)24-13-23(24)18-4-7-22(8-5-18)33(31,32)28-15-17-2-1-10-26-14-17/h3-9,11-12,16-17,23-24,26,28H,1-2,10,13-15H2,(H,29,30)/t17-,23?,24+/m0/s1.
What are the key properties of (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide?
(1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-isoquinolin-6-yl-2-[4-[[(3S)-piperidin-3-yl]methylsulfamoyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 142446862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).