(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C23H25N3O2S — CID 9267993

IUPAC(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H25N3O2S/c1-16(22(27)24-15-19-13-8-14-28-19)29-23-25-20(17-9-4-2-5-10-17)21(26-23)18-11-6-3-7-12-18/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,19-/m0/s1
InChIKeyCNANDYCGCCJFMQ-LPHOPBHVSA-N
MW407.54 g/mol
LogP4.52
Rot. Bonds7

About (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 9267993) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID9267993
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C23H25N3O2S/c1-16(22(27)24-15-19-13-8-14-28-19)29-23-25-20(17-9-4-2-5-10-17)21(26-23)18-11-6-3-7-12-18/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,19-/m0/s1
InChIKeyCNANDYCGCCJFMQ-LPHOPBHVSA-N
XLogP4.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135544785
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(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 51901759
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(oxolan-2-ylmethyl)propanamide
CID 18201879
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 6919625
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
(2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 27348048
(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 41105174
(2R)-2-(3-ethyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 30826271
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
(2R)-2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 9267993) is (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is CNANDYCGCCJFMQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16(22(27)24-15-19-13-8-14-28-19)29-23-25-20(17-9-4-2-5-10-17)21(26-23)18-11-6-3-7-12-18/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,27)(H,25,26)/t16-,19-/m0/s1.
What are the key properties of (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 407.54 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 9267993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).