N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide

C19H23N3O4S — CID 9363439

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(c1cncn1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c23-19(18-11-20-14-22(18)15-5-2-1-3-6-15)21(12-17-7-4-9-26-17)16-8-10-27(24,25)13-16/h1-3,5-6,11,14,16-17H,4,7-10,12-13H2/t16-,17+/m0/s1
InChIKeyOXQHUBQVEZITOS-DLBZAZTESA-N
MW389.48 g/mol
LogP1.68
Rot. Bonds5

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide (PubChem CID 9363439) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide
PubChem CID9363439
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide
SMILESO=C(c1cncn1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C19H23N3O4S/c23-19(18-11-20-14-22(18)15-5-2-1-3-6-15)21(12-17-7-4-9-26-17)16-8-10-27(24,25)13-16/h1-3,5-6,11,14,16-17H,4,7-10,12-13H2/t16-,17+/m0/s1
InChIKeyOXQHUBQVEZITOS-DLBZAZTESA-N
XLogP1.68
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenoxybenzamide
CID 8019925
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(phenoxymethyl)benzamide
CID 41029881
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449872
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-4-propan-2-yloxybenzamide
CID 52533672
2-(4-benzoylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26918260
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylphenoxy)acetamide
CID 41312184
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 51723942
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 124740906
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 40881244
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511
[2-[[(3R)-1,1-dioxothiolan-3-yl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 51565389

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide (CID 9363439) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide is O=C(c1cncn1-c1ccccc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is OXQHUBQVEZITOS-DLBZAZTESA-N. The full InChI is InChI=1S/C19H23N3O4S/c23-19(18-11-20-14-22(18)15-5-2-1-3-6-15)21(12-17-7-4-9-26-17)16-8-10-27(24,25)13-16/h1-3,5-6,11,14,16-17H,4,7-10,12-13H2/t16-,17+/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 9363439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).