N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

C22H22N4O4S — CID 41079731

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)sc2c1
InChIInChI=1S/C22H22N4O4S/c1-22(11-10-14-6-4-3-5-7-14)19(28)26(21(29)25-22)13-18(27)24-20-23-16-9-8-15(30-2)12-17(16)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)(H,23,24,27)/t22-/m1/s1
InChIKeyRPXBZTJKDDKKKN-JOCHJYFZSA-N
MW438.51 g/mol
LogP3.19
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (PubChem CID 41079731) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
PubChem CID41079731
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
SMILESCOc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)sc2c1
InChIInChI=1S/C22H22N4O4S/c1-22(11-10-14-6-4-3-5-7-14)19(28)26(21(29)25-22)13-18(27)24-20-23-16-9-8-15(30-2)12-17(16)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)(H,23,24,27)/t22-/m1/s1
InChIKeyRPXBZTJKDDKKKN-JOCHJYFZSA-N
XLogP3.19
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 20931281
N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 8507105
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
N-(3,5-difluorophenyl)-2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24571527
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 8507081
N-(ethylcarbamoyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8506964
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide (CID 41079731) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is COc1ccc2nc(NC(=O)CN3C(=O)N[C@](C)(CCc4ccccc4)C3=O)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
The InChIKey is RPXBZTJKDDKKKN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-22(11-10-14-6-4-3-5-7-14)19(28)26(21(29)25-22)13-18(27)24-20-23-16-9-8-15(30-2)12-17(16)31-20/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)(H,23,24,27)/t22-/m1/s1.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide has a molecular weight of 438.51 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 41079731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).