2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide

C18H23N3O3S — CID 167979960

IUPAC2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide
SMILESCc1nccc2c(S(=O)(=O)NC3CCCC(CC(N)=O)C3)cccc12
InChIInChI=1S/C18H23N3O3S/c1-12-15-6-3-7-17(16(15)8-9-20-12)25(23,24)21-14-5-2-4-13(10-14)11-18(19)22/h3,6-9,13-14,21H,2,4-5,10-11H2,1H3,(H2,19,22)
InChIKeyKJAVETYDAPLQJW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide

2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide (PubChem CID 167979960) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide
PubChem CID167979960
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide
SMILESCc1nccc2c(S(=O)(=O)NC3CCCC(CC(N)=O)C3)cccc12
InChIInChI=1S/C18H23N3O3S/c1-12-15-6-3-7-17(16(15)8-9-20-12)25(23,24)21-14-5-2-4-13(10-14)11-18(19)22/h3,6-9,13-14,21H,2,4-5,10-11H2,1H3,(H2,19,22)
InChIKeyKJAVETYDAPLQJW-UHFFFAOYSA-N
XLogP2.26
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylnaphthalen-1-yl)sulfonylamino]cyclobutyl]acetic acid
CID 166289228
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
N-cyclohexylnaphthalene-1-sulfonamide
CID 3812052
2-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 63742810
2-cyano-N-(3-ethylcyclohexyl)benzenesulfonamide
CID 64747639
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001353
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
trans-(1R,2R)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
CID 97001354
N-methylmethanamine;1-methyl-5-(2-methylpiperidin-1-yl)sulfonylisoquinoline
CID 159404328
N-[(3S)-piperidin-3-yl]naphthalene-1-sulfonamide
CID 104982537
N-cyclobutyl-4-ethoxynaphthalene-1-sulfonamide
CID 172880543
2-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 43456995

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide?
The IUPAC name of 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide (CID 167979960) is 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide.
What is the SMILES notation for 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide?
The canonical SMILES for 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide is Cc1nccc2c(S(=O)(=O)NC3CCCC(CC(N)=O)C3)cccc12.
What is the InChIKey of 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide?
The InChIKey is KJAVETYDAPLQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-15-6-3-7-17(16(15)8-9-20-12)25(23,24)21-14-5-2-4-13(10-14)11-18(19)22/h3,6-9,13-14,21H,2,4-5,10-11H2,1H3,(H2,19,22).
What are the key properties of 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide?
2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylisoquinolin-5-yl)sulfonylamino]cyclohexyl]acetamide is sourced from PubChem (CID 167979960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).