ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

C22H23N3O5S2 — CID 24598343

IUPACethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)n1
InChIInChI=1S/C22H23N3O5S2/c1-4-30-20(26)12-18-13-31-22(23-18)24-21(27)16-8-7-15(3)19(11-16)32(28,29)25-17-9-5-14(2)6-10-17/h5-11,13,25H,4,12H2,1-3H3,(H,23,24,27)
InChIKeyHQXGVFVHLIRJEI-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.92
Rot. Bonds8

About ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24598343) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID24598343
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Nameethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)n1
InChIInChI=1S/C22H23N3O5S2/c1-4-30-20(26)12-18-13-31-22(23-18)24-21(27)16-8-7-15(3)19(11-16)32(28,29)25-17-9-5-14(2)6-10-17/h5-11,13,25H,4,12H2,1-3H3,(H,23,24,27)
InChIKeyHQXGVFVHLIRJEI-UHFFFAOYSA-N
XLogP3.92
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 24598327
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(4-chloro-3-iodobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 38937088
ethyl 2-[2-[[4-(2-ethylbutanoylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 17309220
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 71704945
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 29407190
ethyl 2-[2-[(6-bromopyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 66463368
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564
ethyl 2-[2-[(4-propan-2-ylsulfanylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 55821879
ethyl 2-[2-[[4-(3,5-dimethylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 86614384
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(4-carbamoylanilino)-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 24598343) is ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)n1.
What is the InChIKey of ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is HQXGVFVHLIRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c1-4-30-20(26)12-18-13-31-22(23-18)24-21(27)16-8-7-15(3)19(11-16)32(28,29)25-17-9-5-14(2)6-10-17/h5-11,13,25H,4,12H2,1-3H3,(H,23,24,27).
What are the key properties of ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 473.58 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24598343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).