N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide

C19H23N3O3S — CID 10361993

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N(C)C(C)C)cccc23)c1C
InChIInChI=1S/C19H23N3O3S/c1-12(2)22(5)17-10-6-9-16-15(17)8-7-11-18(16)26(23,24)21-19-13(3)14(4)20-25-19/h6-12,21H,1-5H3
InChIKeyDXCOFYZOPGIJTO-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.09
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide (PubChem CID 10361993) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide
PubChem CID10361993
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide
SMILESCc1noc(NS(=O)(=O)c2cccc3c(N(C)C(C)C)cccc23)c1C
InChIInChI=1S/C19H23N3O3S/c1-12(2)22(5)17-10-6-9-16-15(17)8-7-11-18(16)26(23,24)21-19-13(3)14(4)20-25-19/h6-12,21H,1-5H3
InChIKeyDXCOFYZOPGIJTO-UHFFFAOYSA-N
XLogP4.09
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide (CID 10361993) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide is Cc1noc(NS(=O)(=O)c2cccc3c(N(C)C(C)C)cccc23)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide?
The InChIKey is DXCOFYZOPGIJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12(2)22(5)17-10-6-9-16-15(17)8-7-11-18(16)26(23,24)21-19-13(3)14(4)20-25-19/h6-12,21H,1-5H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-[methyl(propan-2-yl)amino]naphthalene-1-sulfonamide is sourced from PubChem (CID 10361993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).