N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C20H21N3O5S2 — CID 55472121

IUPACN-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O5S2/c1-13-3-5-15(6-4-13)28-11-20-22-14(12-29-20)9-19(24)23-17-10-16(30(21,25)26)7-8-18(17)27-2/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyLLFHDJMZKBEDFF-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.87
Rot. Bonds8

About N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55472121) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55472121
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC NameN-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1
InChIInChI=1S/C20H21N3O5S2/c1-13-3-5-15(6-4-13)28-11-20-22-14(12-29-20)9-19(24)23-17-10-16(30(21,25)26)7-8-18(17)27-2/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)(H2,21,25,26)
InChIKeyLLFHDJMZKBEDFF-UHFFFAOYSA-N
XLogP2.87
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-cyano-2-methoxyphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 49182333
4-methoxy-N,N-dimethyl-3-[[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55893462
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 17498942
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 24524700
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
N-(2-acetamido-5-chlorophenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 60605397
N-(6-chloropyrazin-2-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 47090661
N-(3-fluoro-4-methylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 25488180
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 55448105
N-(4-tert-butylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 50753766
N-[4-(dimethylamino)phenyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 112500932

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 55472121) is N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)Cc1csc(COc2ccc(C)cc2)n1.
What is the InChIKey of N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is LLFHDJMZKBEDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-13-3-5-15(6-4-13)28-11-20-22-14(12-29-20)9-19(24)23-17-10-16(30(21,25)26)7-8-18(17)27-2/h3-8,10,12H,9,11H2,1-2H3,(H,23,24)(H2,21,25,26).
What are the key properties of N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-sulfamoylphenyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55472121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).