N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide

C16H18N2O3S — CID 57411324

IUPACN-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide
SMILESCC(C)S(=O)(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C16H18N2O3S/c1-10(2)22(20,21)14-6-5-12-8-15(17-9-13(12)7-14)18-16(19)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKSAMDFSXJGHOJC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.77
Rot. Bonds4

About N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide

N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide (PubChem CID 57411324) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide
PubChem CID57411324
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide
SMILESCC(C)S(=O)(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C16H18N2O3S/c1-10(2)22(20,21)14-6-5-12-8-15(17-9-13(12)7-14)18-16(19)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyKSAMDFSXJGHOJC-UHFFFAOYSA-N
XLogP2.77
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 123295297
N-(7-(isopropylthio)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57411213
N-(7-(isopropylsulfinyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57411323
N-(7-(5-fluoro-2-methylphenyl)-5-(methylsulfonyl)-2,6-naphthyridin-3-yl)cyclopropanecarboxamide
CID 67976360
1-(3,4-dimethylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24687152
7-(3,5-Dimethylphenyl)sulfonyl-1-piperazin-1-ylisoquinoline
CID 118712406
2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]phenyl]-2-methyl-N-pyridin-2-ylpropanamide
CID 145979878
N-Pyridin-2-yl-2-(toluene-4-sulfonyl)-acetamide
CID 3163424
3-(benzenesulfonyl)-N-(4-methylpyridin-2-yl)propanamide
CID 3163451
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methyl-2-pyridinyl)propanamide
CID 17505658
3-cyclopentyl-2-(4-methanesulfonyl-phenyl)-N-pyridin-2-yl-propionamide
CID 22315084
N-(7-(5-(ethylsulfonamido)-2-methylphenyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 67974962

Frequently Asked Questions

What is the IUPAC name of N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide (CID 57411324) is N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide is CC(C)S(=O)(=O)c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide?
The InChIKey is KSAMDFSXJGHOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10(2)22(20,21)14-6-5-12-8-15(17-9-13(12)7-14)18-16(19)11-3-4-11/h5-11H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide?
N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-propan-2-ylsulfonylisoquinolin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 57411324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).