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

C21H22N4O4S2 — CID 24568505

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-6-4-5-7-19(14)25(31(3,28)29)12-20(27)24-21-23-18(13-30-21)16-8-10-17(11-9-16)22-15(2)26/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyAKCAUKMVSHOJRP-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.48
Rot. Bonds7

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 24568505) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID24568505
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C21H22N4O4S2/c1-14-6-4-5-7-19(14)25(31(3,28)29)12-20(27)24-21-23-18(13-30-21)16-8-10-17(11-9-16)22-15(2)26/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,27)
InChIKeyAKCAUKMVSHOJRP-UHFFFAOYSA-N
XLogP3.48
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2114071
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
2-(1,3-dioxoisoindol-2-yl)-N-[4-[4-[[5-[[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetyl]amino]-2-methylphenyl]methyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 178026625
2-(2-methyl-N-methylsulfonylanilino)-N-(4-nitrophenyl)acetamide
CID 2874689
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 24568505) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CN(c3ccccc3C)S(C)(=O)=O)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is AKCAUKMVSHOJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c1-14-6-4-5-7-19(14)25(31(3,28)29)12-20(27)24-21-23-18(13-30-21)16-8-10-17(11-9-16)22-15(2)26/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 458.57 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 24568505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).