2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide

C18H20N2O4S — CID 46346422

IUPAC2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H20N2O4S/c1-4-9-20-15-7-6-14(11-16(15)24-18(20)21)19-25(22,23)17-8-5-12(2)10-13(17)3/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyJSQAUCXGYLPMOP-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.42
Rot. Bonds5

About 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide

2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 46346422) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID46346422
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H20N2O4S/c1-4-9-20-15-7-6-14(11-16(15)24-18(20)21)19-25(22,23)17-8-5-12(2)10-13(17)3/h5-8,10-11,19H,4,9H2,1-3H3
InChIKeyJSQAUCXGYLPMOP-UHFFFAOYSA-N
XLogP3.42
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346439
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
2,4-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729055
1-(2-methoxy-5-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50797422
2-(4-methylphenoxy)-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)acetamide
CID 50796641
3-(2-aminoethyl)-6-methyl-1,3-benzoxazol-2-one
CID 54013052
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70121145
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 46346422) is 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is CCCn1c(=O)oc2cc(NS(=O)(=O)c3ccc(C)cc3C)ccc21.
What is the InChIKey of 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is JSQAUCXGYLPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-4-9-20-15-7-6-14(11-16(15)24-18(20)21)19-25(22,23)17-8-5-12(2)10-13(17)3/h5-8,10-11,19H,4,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 46346422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).