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

C19H25N3O2S — CID 40790824

IUPAC(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C19H25N3O2S/c1-3-20-18(23)14(2)25-19-21-12-17(15-8-5-4-6-9-15)22(19)13-16-10-7-11-24-16/h4-6,8-9,12,14,16H,3,7,10-11,13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyQJNPVBLCHHFWDJ-ZBFHGGJFSA-N
MW359.50 g/mol
LogP3.35
Rot. Bonds7

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

(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide (PubChem CID 40790824) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
PubChem CID40790824
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C19H25N3O2S/c1-3-20-18(23)14(2)25-19-21-12-17(15-8-5-4-6-9-15)22(19)13-16-10-7-11-24-16/h4-6,8-9,12,14,16H,3,7,10-11,13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1
InChIKeyQJNPVBLCHHFWDJ-ZBFHGGJFSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790828
(2R)-N-methyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 30943083
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 24591682
(2S)-N-(2,6-dimethylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 1169968
N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 42084151
N-(1,1-dioxothiolan-3-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 24591766
(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-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
2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 17440346
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide (CID 40790824) is (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide is CCNC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1.
What is the InChIKey of (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
The InChIKey is QJNPVBLCHHFWDJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-20-18(23)14(2)25-19-21-12-17(15-8-5-4-6-9-15)22(19)13-16-10-7-11-24-16/h4-6,8-9,12,14,16H,3,7,10-11,13H2,1-2H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide?
(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide has a molecular weight of 359.50 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40790824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).