N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide

C20H20N2O5S2 — CID 16831342

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2C)cc1
InChIInChI=1S/C20H20N2O5S2/c1-13-19(14-4-6-15(26-2)7-5-14)22-20(28-13)21-18(23)12-29(24,25)17-10-8-16(27-3)9-11-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyYJAWDRYVOSANSL-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.55
Rot. Bonds7

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 16831342) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID16831342
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2C)cc1
InChIInChI=1S/C20H20N2O5S2/c1-13-19(14-4-6-15(26-2)7-5-14)22-20(28-13)21-18(23)12-29(24,25)17-10-8-16(27-3)9-11-17/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyYJAWDRYVOSANSL-UHFFFAOYSA-N
XLogP3.55
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

T16AInh-A01
CID 135460621
ML277
CID 53347902
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
2-(4-fluorobenzenesulfonyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16799558
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
4-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 4521790
2-(benzenesulfonyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 7254450
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-4-methyl-benzenesulfonamide
CID 2400649
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
4-[2-Benzylamino-4-(3-fluoro-4-methoxy-phenyl)-thiazol-5-yl]-benzenesulfonamide
CID 44271350

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide (CID 16831342) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(OC)cc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is YJAWDRYVOSANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c1-13-19(14-4-6-15(26-2)7-5-14)22-20(28-13)21-18(23)12-29(24,25)17-10-8-16(27-3)9-11-17/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 432.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 16831342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).