2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide

C23H20N2O3S2 — CID 122286241

IUPAC2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H20N2O3S2/c26-30(27,15-14-28-21-12-5-2-6-13-21)25-20-11-7-10-19(16-20)22-17-29-23(24-22)18-8-3-1-4-9-18/h1-13,16-17,25H,14-15H2
InChIKeyMYFCVZOFZQJLQW-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.30
Rot. Bonds8

About 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide

2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide (PubChem CID 122286241) has the molecular formula C23H20N2O3S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
PubChem CID122286241
Molecular FormulaC23H20N2O3S2
Molecular Weight436.56 g/mol
Exact Mass436.09
IUPAC Name2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H20N2O3S2/c26-30(27,15-14-28-21-12-5-2-6-13-21)25-20-11-7-10-19(16-20)22-17-29-23(24-22)18-8-3-1-4-9-18/h1-13,16-17,25H,14-15H2
InChIKeyMYFCVZOFZQJLQW-UHFFFAOYSA-N
XLogP5.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-phenoxyethanesulfonamide
CID 90518300
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748690
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
CID 122286209
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]butane-1-sulfonamide
CID 108784185
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
N-[3-[2-(2-benzylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 103597323
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide (CID 122286241) is 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide?
The InChIKey is MYFCVZOFZQJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S2/c26-30(27,15-14-28-21-12-5-2-6-13-21)25-20-11-7-10-19(16-20)22-17-29-23(24-22)18-8-3-1-4-9-18/h1-13,16-17,25H,14-15H2.
What are the key properties of 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide?
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide has a molecular weight of 436.56 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 122286241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).