3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide

C18H18N2O4S — CID 666515

IUPAC3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21
InChIInChI=1S/C18H18N2O4S/c1-20-16-10-9-13(11-17(16)24-18(20)21)25(22,23)19-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3
InChIKeySQZZCLFRMZFOJV-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.81
Rot. Bonds3

About 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 666515) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
PubChem CID666515
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21
InChIInChI=1S/C18H18N2O4S/c1-20-16-10-9-13(11-17(16)24-18(20)21)25(22,23)19-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3
InChIKeySQZZCLFRMZFOJV-UHFFFAOYSA-N
XLogP2.81
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)chromene-6-sulfonamide
CID 55544360
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 55559647
3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729737
3,4-difluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3832524
3-fluoro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3391096
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-(3-ethynylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31397830
1-N-cyclopropyl-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzene-1,4-disulfonamide
CID 35507830

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide (CID 666515) is 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc4c3CCCC4)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SQZZCLFRMZFOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-20-16-10-9-13(11-17(16)24-18(20)21)25(22,23)19-15-8-4-6-12-5-2-3-7-14(12)15/h4,6,8-11,19H,2-3,5,7H2,1H3.
What are the key properties of 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 666515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).