N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C19H25N3O4S — CID 70705688

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(C)C)CC3)no1
InChIInChI=1S/C19H25N3O4S/c1-13(2)4-7-19(23)22-9-8-15-5-6-17(11-16(15)12-22)27(24,25)21-18-10-14(3)26-20-18/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,20,21)
InChIKeyJRFNYEIEOQTYDA-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.10
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 70705688) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID70705688
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(C)C)CC3)no1
InChIInChI=1S/C19H25N3O4S/c1-13(2)4-7-19(23)22-9-8-15-5-6-17(11-16(15)12-22)27(24,25)21-18-10-14(3)26-20-18/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,20,21)
InChIKeyJRFNYEIEOQTYDA-UHFFFAOYSA-N
XLogP3.10
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide with MolForge

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpyrimidine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70788363
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370456
4-(2-methylpropoxy)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16943864
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113051790
2-acetyl-N-(2,6-dimethylphenyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110300841
2-(4-methylbenzoyl)-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644519
2-(2-hydroxy-3-methylbutanoyl)-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70740180
N-(3-hydroxybutyl)-2-(3,3,3-trifluoropropanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70744204
N-methyl-1-(4-methylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 51098284
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 97220391
2-[3-(furan-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110310919

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 70705688) is N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(C)C)CC3)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is JRFNYEIEOQTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)4-7-19(23)22-9-8-15-5-6-17(11-16(15)12-22)27(24,25)21-18-10-14(3)26-20-18/h5-6,10-11,13H,4,7-9,12H2,1-3H3,(H,20,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpentanoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 70705688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).