N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide

C23H24N4O3S — CID 40783237

IUPACN-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1
InChIInChI=1S/C23H24N4O3S/c24-22(29)25-19(28)15-31-23-26-20(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23)14-18-12-7-13-30-18/h1-6,8-11,18H,7,12-15H2,(H3,24,25,28,29)/t18-/m1/s1
InChIKeyODSJXDFQOLUBFT-GOSISDBHSA-N
MW436.54 g/mol
LogP3.68
Rot. Bonds7

About N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide

N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide (PubChem CID 40783237) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
PubChem CID40783237
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide
SMILESNC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1
InChIInChI=1S/C23H24N4O3S/c24-22(29)25-19(28)15-31-23-26-20(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23)14-18-12-7-13-30-18/h1-6,8-11,18H,7,12-15H2,(H3,24,25,28,29)/t18-/m1/s1
InChIKeyODSJXDFQOLUBFT-GOSISDBHSA-N
XLogP3.68
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2651496
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
N-(cyclopropylcarbamoyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7868979
N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 42084151
N-cycloheptyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515508
2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
CID 18269176
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 17440346
N-(1-cyclopropylethyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 51215577
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
2-[[5-methyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3504498
methyl 2-[[4-(oxolan-2-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 3180942
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide (CID 40783237) is N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide is NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1C[C@H]1CCCO1.
What is the InChIKey of N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is ODSJXDFQOLUBFT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O3S/c24-22(29)25-19(28)15-31-23-26-20(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23)14-18-12-7-13-30-18/h1-6,8-11,18H,7,12-15H2,(H3,24,25,28,29)/t18-/m1/s1.
What are the key properties of N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide?
N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 436.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-4,5-diphenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 40783237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).