N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide

C14H18N2O2S2 — CID 121122937

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1
InChIInChI=1S/C14H18N2O2S2/c1-4-12-5-7-13(8-6-12)20(17,18)15-9-14-10(2)16-11(3)19-14/h5-8,15H,4,9H2,1-3H3
InChIKeyOIQDXYYLWRYXMR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.80
Rot. Bonds5

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide (PubChem CID 121122937) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
PubChem CID121122937
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1
InChIInChI=1S/C14H18N2O2S2/c1-4-12-5-7-13(8-6-12)20(17,18)15-9-14-10(2)16-11(3)19-14/h5-8,15H,4,9H2,1-3H3
InChIKeyOIQDXYYLWRYXMR-UHFFFAOYSA-N
XLogP2.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
CID 121122948
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
CID 121122995
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 106900182
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
4-ethyl-N-(2-nitrosoethyl)benzenesulfonamide
CID 90392756

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide (CID 121122937) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCc2sc(C)nc2C)cc1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide?
The InChIKey is OIQDXYYLWRYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-4-12-5-7-13(8-6-12)20(17,18)15-9-14-10(2)16-11(3)19-14/h5-8,15H,4,9H2,1-3H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 121122937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).