N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide

C27H24N4O3S — CID 55335327

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)C1=O
InChIInChI=1S/C27H24N4O3S/c1-27(20-12-6-3-7-13-20)24(33)31(25(34)29-27)18-23(32)30(17-16-19-10-4-2-5-11-19)26-28-21-14-8-9-15-22(21)35-26/h2-15H,16-18H2,1H3,(H,29,34)
InChIKeyMTXMEXGSCUMHQB-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.34
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 55335327) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID55335327
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESCC1(c2ccccc2)NC(=O)N(CC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)C1=O
InChIInChI=1S/C27H24N4O3S/c1-27(20-12-6-3-7-13-20)24(33)31(25(34)29-27)18-23(32)30(17-16-19-10-4-2-5-11-19)26-28-21-14-8-9-15-22(21)35-26/h2-15H,16-18H2,1H3,(H,29,34)
InChIKeyMTXMEXGSCUMHQB-UHFFFAOYSA-N
XLogP4.34
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55335287
N-(1,3-benzothiazol-2-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
CID 55667085
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 2580426
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203365
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 41203363
N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide
CID 112763403
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-(2-cyanoethyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-phenylacetamide
CID 46642421
N-ethyl-N-(4-fluorophenyl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 78561438
N-(1,3-benzothiazol-2-yl)-N-(2-phenylethyl)-2-(2-phenylphenoxy)acetamide
CID 2447092
(5R)-3-[[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9284628

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide (CID 55335327) is N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide is CC1(c2ccccc2)NC(=O)N(CC(=O)N(CCc2ccccc2)c2nc3ccccc3s2)C1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MTXMEXGSCUMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-27(20-12-6-3-7-13-20)24(33)31(25(34)29-27)18-23(32)30(17-16-19-10-4-2-5-11-19)26-28-21-14-8-9-15-22(21)35-26/h2-15H,16-18H2,1H3,(H,29,34).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 484.58 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 55335327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).