N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H25N3O7S2 — CID 97311635

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O7S2/c1-4-21(14-9-10-31(28,29)12-14)16(23)11-22-17(24)19(2,20-18(22)25)13-5-7-15(8-6-13)30(3,26)27/h5-8,14H,4,9-12H2,1-3H3,(H,20,25)/t14-,19-/m1/s1
InChIKeyPHACBXJYCURUCH-AUUYWEPGSA-N
MW471.56 g/mol
LogP-0.11
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 97311635) has the molecular formula C19H25N3O7S2 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID97311635
Molecular FormulaC19H25N3O7S2
Molecular Weight471.56 g/mol
Exact Mass471.11
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H25N3O7S2/c1-4-21(14-9-10-31(28,29)12-14)16(23)11-22-17(24)19(2,20-18(22)25)13-5-7-15(8-6-13)30(3,26)27/h5-8,14H,4,9-12H2,1-3H3,(H,20,25)/t14-,19-/m1/s1
InChIKeyPHACBXJYCURUCH-AUUYWEPGSA-N
XLogP-0.11
TPSA138.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 7610071
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7487042
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
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
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 40846749
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 40846751
N-[(2S)-butan-2-yl]-2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51673263
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
2-[(4R)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 40891659
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 40891662
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
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11923048

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 97311635) is N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is PHACBXJYCURUCH-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H25N3O7S2/c1-4-21(14-9-10-31(28,29)12-14)16(23)11-22-17(24)19(2,20-18(22)25)13-5-7-15(8-6-13)30(3,26)27/h5-8,14H,4,9-12H2,1-3H3,(H,20,25)/t14-,19-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 471.56 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 97311635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).