N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

C20H21N3O4S2 — CID 30860042

IUPACN-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-27-17-8-4-14(5-9-17)21-19(24)12-16-13-28-20(23-16)22-15-6-10-18(11-7-15)29(2,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJYNWVZYGWFGTEP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.87
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30860042) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30860042
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C20H21N3O4S2/c1-3-27-17-8-4-14(5-9-17)21-19(24)12-16-13-28-20(23-16)22-15-6-10-18(11-7-15)29(2,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJYNWVZYGWFGTEP-UHFFFAOYSA-N
XLogP3.87
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-phenyl-5-thiazolecarboxamide
CID 1468097
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CID 655616
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
3-(2-Benzenesulfonamido-4-methyl-1,3-thiazol-5-YL)-1-(4-methoxyphenyl)urea
CID 1090482
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(phenylsulfonyl)acetamide
CID 2219317
Ethyl 2-[2-[[2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2336554
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
1-(4-ethoxyphenyl)-4-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-dihydropyridazine-3-carboxamide
CID 16454987
N-(4-ethoxyphenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 17255621
N-(2-fluorophenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567656

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 30860042) is N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is JYNWVZYGWFGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-3-27-17-8-4-14(5-9-17)21-19(24)12-16-13-28-20(23-16)22-15-6-10-18(11-7-15)29(2,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30860042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).