N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide

C19H18N2O6S2 — CID 67489958

IUPACN-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(NC(=O)c3nccs3)cc(OCCO)c2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)21-18(23)19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,21,23)
InChIKeySGFKSTGDNKINNZ-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.96
Rot. Bonds8

About N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide

N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 67489958) has the molecular formula C19H18N2O6S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID67489958
Molecular FormulaC19H18N2O6S2
Molecular Weight434.50 g/mol
Exact Mass434.06
IUPAC NameN-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(Oc2cc(NC(=O)c3nccs3)cc(OCCO)c2)cc1
InChIInChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)21-18(23)19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,21,23)
InChIKeySGFKSTGDNKINNZ-UHFFFAOYSA-N
XLogP2.96
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2-methoxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 67489956
3-(1-hydroxy-3-methylbutan-2-yl)oxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 23093081
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
3-[2-(hydroxymethyl)prop-2-enyl]-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 10049120
N-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59514361
N-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 59514368
3-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 45268965
3-(4-methylsulfonylphenoxy)-2-pentoxy-N-(1,3-thiazol-2-yl)benzamide
CID 141099322
5-(4-butoxyphenyl)-N-(4-methylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 171691982
[4-(4-methylsulfonylphenoxy)-2-pyridinyl]methanol
CID 61257761
2-[3-[(2-methyl-1H-imidazole-5-carbonyl)amino]-5-(4-methylsulfonylphenoxy)phenoxy]propyl 2-methyl-1H-imidazole-5-carboxylate
CID 76565047
N-(4-acetylphenyl)-1,3-thiazole-2-carboxamide
CID 110696027

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide (CID 67489958) is N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide is CS(=O)(=O)c1ccc(Oc2cc(NC(=O)c3nccs3)cc(OCCO)c2)cc1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is SGFKSTGDNKINNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S2/c1-29(24,25)17-4-2-14(3-5-17)27-16-11-13(10-15(12-16)26-8-7-22)21-18(23)19-20-6-9-28-19/h2-6,9-12,22H,7-8H2,1H3,(H,21,23).
What are the key properties of N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide?
N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)-5-(4-methylsulfonylphenoxy)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 67489958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).