N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C18H24N2O4S — CID 70747596

IUPACN-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESO=C([C@H]1CCCO1)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1
InChIInChI=1S/C18H24N2O4S/c21-18(17-5-2-10-24-17)20-9-8-13-6-7-16(11-14(13)12-20)25(22,23)19-15-3-1-4-15/h6-7,11,15,17,19H,1-5,8-10,12H2/t17-/m1/s1
InChIKeyMLZHUMLEBXEKSK-QGZVFWFLSA-N
MW364.47 g/mol
LogP1.58
Rot. Bonds4

About N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70747596) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70747596
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESO=C([C@H]1CCCO1)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1
InChIInChI=1S/C18H24N2O4S/c21-18(17-5-2-10-24-17)20-9-8-13-6-7-16(11-14(13)12-20)25(22,23)19-15-3-1-4-15/h6-7,11,15,17,19H,1-5,8-10,12H2/t17-/m1/s1
InChIKeyMLZHUMLEBXEKSK-QGZVFWFLSA-N
XLogP1.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70770381
N-cyclopentyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 3835746
4-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 94091179
4-ethyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566010
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944208
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
2-(4-methyl-1H-pyrrole-2-carbonyl)-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70777660
N-(2-oxooxolan-3-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 5113857
2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104855979
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294055
cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142
N-(oxolan-2-ylmethyl)-2-propanoyl-3,4-dihydro-1H-isoquinoline-6-sulfonamide
CID 70718125

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70747596) is N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide is O=C([C@H]1CCCO1)N1CCc2ccc(S(=O)(=O)NC3CCC3)cc2C1.
What is the InChIKey of N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is MLZHUMLEBXEKSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(17-5-2-10-24-17)20-9-8-13-6-7-16(11-14(13)12-20)25(22,23)19-15-3-1-4-15/h6-7,11,15,17,19H,1-5,8-10,12H2/t17-/m1/s1.
What are the key properties of N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[(2R)-oxolane-2-carbonyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70747596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).