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

C20H20N2O4S2 — CID 7254224

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-13-4-10-17(11-5-13)28(24,25)12-18(23)21-20-22-19(14(2)27-20)15-6-8-16(26-3)9-7-15/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyQJUCSJJGOPHFSW-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.85
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 7254224) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID7254224
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2C)cc1
InChIInChI=1S/C20H20N2O4S2/c1-13-4-10-17(11-5-13)28(24,25)12-18(23)21-20-22-19(14(2)27-20)15-6-8-16(26-3)9-7-15/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyQJUCSJJGOPHFSW-UHFFFAOYSA-N
XLogP3.85
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
2-(4-ethylsulfonylphenyl)-N-(5-phenoxy-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 60142605

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide (CID 7254224) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide is COc1ccc(-c2nc(NC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is QJUCSJJGOPHFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-13-4-10-17(11-5-13)28(24,25)12-18(23)21-20-22-19(14(2)27-20)15-6-8-16(26-3)9-7-15/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-methylphenyl)sulfonylacetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 416.52 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 7254224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).