5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

C18H21N3O3S — CID 10383850

IUPAC5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCCc1c(C)noc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H21N3O3S/c1-5-13-12(2)19-24-18(13)20-25(22,23)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,5H2,1-4H3
InChIKeyDITDDKVOFHIMMO-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.57
Rot. Bonds5

About 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide

5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (PubChem CID 10383850) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
PubChem CID10383850
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
SMILESCCc1c(C)noc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C18H21N3O3S/c1-5-13-12(2)19-24-18(13)20-25(22,23)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,5H2,1-4H3
InChIKeyDITDDKVOFHIMMO-UHFFFAOYSA-N
XLogP3.57
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide (CID 10383850) is 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is CCc1c(C)noc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
The InChIKey is DITDDKVOFHIMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-5-13-12(2)19-24-18(13)20-25(22,23)17-11-7-8-14-15(17)9-6-10-16(14)21(3)4/h6-11,20H,5H2,1-4H3.
What are the key properties of 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide?
5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10383850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).