(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide

C19H24FN3O2S — CID 27978276

IUPAC(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
SMILESCc1nc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n(C[C@H]2CCCO2)c1C
InChIInChI=1S/C19H24FN3O2S/c1-12-13(2)23(11-17-8-5-9-25-17)19(21-12)26-14(3)18(24)22-16-7-4-6-15(20)10-16/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyQDBZVKUXSRQLFA-WMLDXEAASA-N
MW377.49 g/mol
LogP3.94
Rot. Bonds6

About (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide

(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide (PubChem CID 27978276) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
PubChem CID27978276
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
SMILESCc1nc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n(C[C@H]2CCCO2)c1C
InChIInChI=1S/C19H24FN3O2S/c1-12-13(2)23(11-17-8-5-9-25-17)19(21-12)26-14(3)18(24)22-16-7-4-6-15(20)10-16/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyQDBZVKUXSRQLFA-WMLDXEAASA-N
XLogP3.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-fluorophenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 25417286
N-(3-fluorophenyl)-2-[[5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 137279547
1-(4-chlorophenyl)-2-[4,5-dimethyl-1-(oxolan-2-ylmethyl)imidazol-2-yl]sulfanylpropan-1-one
CID 42918633
N-(3-chlorophenyl)-2-[[5-(4-methoxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 16537606
N-(3,4-dimethoxyphenyl)-2-[[5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46623063
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40986561
N-(3-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259127
N-(3-fluoro-4-methylphenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640555
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24591682
N-(2,6-difluorophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide
CID 55420856
N-(2,6-dimethylphenyl)-2-[[5-[(4-fluoroanilino)methyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 3525609
2-[[5-(3-amino-3-oxopropyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18286462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide (CID 27978276) is (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide is Cc1nc(S[C@@H](C)C(=O)Nc2cccc(F)c2)n(C[C@H]2CCCO2)c1C.
What is the InChIKey of (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide?
The InChIKey is QDBZVKUXSRQLFA-WMLDXEAASA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-12-13(2)23(11-17-8-5-9-25-17)19(21-12)26-14(3)18(24)22-16-7-4-6-15(20)10-16/h4,6-7,10,14,17H,5,8-9,11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1.
What are the key properties of (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide?
(2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 27978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).