N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide

C14H18N2O3S — CID 110718842

IUPACN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2oc(C)nc2C)c1
InChIInChI=1S/C14H18N2O3S/c1-10-5-4-6-13(9-10)20(17,18)15-8-7-14-11(2)16-12(3)19-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyHUUOIVLMYQLEOX-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.12
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide

N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 110718842) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
PubChem CID110718842
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2oc(C)nc2C)c1
InChIInChI=1S/C14H18N2O3S/c1-10-5-4-6-13(9-10)20(17,18)15-8-7-14-11(2)16-12(3)19-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyHUUOIVLMYQLEOX-UHFFFAOYSA-N
XLogP2.12
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717603
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 3687846
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 49460269
N-[2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbenzenesulfonamide
CID 110321687
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 110645576
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzenesulfonamide
CID 110324032
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 110718832
3-methyl-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 53090383
3,4-dichloro-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110714870
N-[3-(butylamino)propyl]-3-methylbenzenesulfonamide
CID 155203443
N-(3-cyanopropyl)-3-methylbenzenesulfonamide
CID 62667392

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide (CID 110718842) is N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2oc(C)nc2C)c1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is HUUOIVLMYQLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-5-4-6-13(9-10)20(17,18)15-8-7-14-11(2)16-12(3)19-14/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide?
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110718842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).