2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

C12H14N2O3S2 — CID 122558057

IUPAC2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCc1cscn1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-8-11-9-18-10-13-11)7-6-17-12-4-2-1-3-5-12/h1-5,9-10,14H,6-8H2
InChIKeyAFRGBIOAPOMUOS-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.64
Rot. Bonds7

About 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide

2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (PubChem CID 122558057) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
PubChem CID122558057
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCc1cscn1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-8-11-9-18-10-13-11)7-6-17-12-4-2-1-3-5-12/h1-5,9-10,14H,6-8H2
InChIKeyAFRGBIOAPOMUOS-UHFFFAOYSA-N
XLogP1.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-phenoxyethanesulfonamide
CID 11140850
1-cyano-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823756
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
CID 91956267
1-(2-cyanophenyl)-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823577
N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
3-phenoxy-N-[(2-thiophen-3-ylphenyl)methyl]propane-1-sulfonamide
CID 90597161
3-chloro-2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-1-sulfonamide
CID 79586158
N-(3-phenoxypropyl)propane-1-sulfonamide
CID 61383933
4-[2-[4-(2-phenylethynyl)phenoxy]ethyl]-1,3-thiazole
CID 141142134
3-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458470
1-pyrrolidin-2-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823783
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide (CID 122558057) is 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCc1cscn1.
What is the InChIKey of 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
The InChIKey is AFRGBIOAPOMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-19(16,14-8-11-9-18-10-13-11)7-6-17-12-4-2-1-3-5-12/h1-5,9-10,14H,6-8H2.
What are the key properties of 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide?
2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide has a molecular weight of 298.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(1,3-thiazol-4-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 122558057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).