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

C24H35N3O5S — CID 51673263

IUPACN-[(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
SMILESCC[C@H](C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C24H35N3O5S/c1-7-16(2)27(19-12-13-33(31,32)15-19)20(28)14-26-21(29)24(6,25-22(26)30)18-10-8-17(9-11-18)23(3,4)5/h8-11,16,19H,7,12-15H2,1-6H3,(H,25,30)/t16-,19-,24+/m0/s1
InChIKeyGCGXDDSCSZNIEQ-TVVUZDRGSA-N
MW477.63 g/mol
LogP2.57
Rot. Bonds6

About 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

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 (PubChem CID 51673263) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID51673263
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC NameN-[(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
SMILESCC[C@H](C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C24H35N3O5S/c1-7-16(2)27(19-12-13-33(31,32)15-19)20(28)14-26-21(29)24(6,25-22(26)30)18-10-8-17(9-11-18)23(3,4)5/h8-11,16,19H,7,12-15H2,1-6H3,(H,25,30)/t16-,19-,24+/m0/s1
InChIKeyGCGXDDSCSZNIEQ-TVVUZDRGSA-N
XLogP2.57
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7487042
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]-N-ethyl-2-[(4R)-4-methyl-4-(4-methylsulfonylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 97311635
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26716014
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 40846751
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-[cyclopropyl-[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 122067032
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-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 51139022
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2646977
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972934
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3392202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@H](C)N(C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 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?
The InChIKey is GCGXDDSCSZNIEQ-TVVUZDRGSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-7-16(2)27(19-12-13-33(31,32)15-19)20(28)14-26-21(29)24(6,25-22(26)30)18-10-8-17(9-11-18)23(3,4)5/h8-11,16,19H,7,12-15H2,1-6H3,(H,25,30)/t16-,19-,24+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 477.63 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51673263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).