N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide

C20H25N7O5S — CID 25478375

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide
SMILESCCCN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N7O5S/c1-3-8-25(16-7-9-33(31,32)12-16)17(28)11-26-18(29)20(2,22-19(26)30)14-5-4-6-15(10-14)27-13-21-23-24-27/h4-6,10,13,16H,3,7-9,11-12H2,1-2H3,(H,22,30)/t16-,20+/m1/s1
InChIKeyPOMIWOXHCMLJBM-UZLBHIALSA-N
MW475.53 g/mol
LogP-0.14
Rot. Bonds7

About N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide (PubChem CID 25478375) has the molecular formula C20H25N7O5S and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide
PubChem CID25478375
Molecular FormulaC20H25N7O5S
Molecular Weight475.53 g/mol
Exact Mass475.16
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide
SMILESCCCN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N7O5S/c1-3-8-25(16-7-9-33(31,32)12-16)17(28)11-26-18(29)20(2,22-19(26)30)14-5-4-6-15(10-14)27-13-21-23-24-27/h4-6,10,13,16H,3,7-9,11-12H2,1-2H3,(H,22,30)/t16-,20+/m1/s1
InChIKeyPOMIWOXHCMLJBM-UZLBHIALSA-N
XLogP-0.14
TPSA147.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24562049
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylacetamide
CID 26011358
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 8008408
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97311635
N-benzyl-N-(2-methoxyethyl)-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetamide
CID 41272661
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40847111
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
2-[(4R)-4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 41167169
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7487042
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide (CID 25478375) is N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide is CCCN(C(=O)CN1C(=O)N[C@@](C)(c2cccc(-n3cnnn3)c2)C1=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide?
The InChIKey is POMIWOXHCMLJBM-UZLBHIALSA-N. The full InChI is InChI=1S/C20H25N7O5S/c1-3-8-25(16-7-9-33(31,32)12-16)17(28)11-26-18(29)20(2,22-19(26)30)14-5-4-6-15(10-14)27-13-21-23-24-27/h4-6,10,13,16H,3,7-9,11-12H2,1-2H3,(H,22,30)/t16-,20+/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide has a molecular weight of 475.53 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 25478375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).