(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide

C18H23N3O2S — CID 30943083

IUPAC(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-13(17(22)19-2)24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyOTVDPSNMKBEVOT-HIFRSBDPSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds6

About (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide

(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide (PubChem CID 30943083) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
PubChem CID30943083
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-13(17(22)19-2)24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H,19,22)/t13-,15+/m1/s1
InChIKeyOTVDPSNMKBEVOT-HIFRSBDPSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24591682
(2R)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790828
(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790824
(2S)-N-(2,6-dimethylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 1169968
(2R)-N-(3-fluorophenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 25417286
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 24591684
N-(1,1-dioxothiolan-3-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 24591766
N-cyclopropyl-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-2-phenylacetamide
CID 24591748
ethyl 1-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 55486464
N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 42084151
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 17440346

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide (CID 30943083) is (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide is CNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1.
What is the InChIKey of (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The InChIKey is OTVDPSNMKBEVOT-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(17(22)19-2)24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,13,15H,6,9-10,12H2,1-2H3,(H,19,22)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 30943083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).