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

C14H18N2O3S2 — CID 91956267

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCOc2ccccc2)sc1C
InChIInChI=1S/C14H18N2O3S2/c1-11-12(2)20-14(16-11)10-15-21(17,18)9-8-19-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3
InChIKeyXEPJIFMTDBNDCK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.26
Rot. Bonds7

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide (PubChem CID 91956267) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
PubChem CID91956267
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
SMILESCc1nc(CNS(=O)(=O)CCOc2ccccc2)sc1C
InChIInChI=1S/C14H18N2O3S2/c1-11-12(2)20-14(16-11)10-15-21(17,18)9-8-19-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3
InChIKeyXEPJIFMTDBNDCK-UHFFFAOYSA-N
XLogP2.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110446172
N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
phenyl N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739115
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
CID 122558057
2-(4-fluorophenoxy)-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]ethanesulfonamide
CID 121121979
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
2-[(2-methoxyethylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249184
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328
[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenoxypropan-2-yl]hydrazine
CID 105212902
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111771522
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide (CID 91956267) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide is Cc1nc(CNS(=O)(=O)CCOc2ccccc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide?
The InChIKey is XEPJIFMTDBNDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-11-12(2)20-14(16-11)10-15-21(17,18)9-8-19-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide has a molecular weight of 326.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 91956267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).