2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide

C19H26N4O2S — CID 52529830

IUPAC2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
SMILESC[C@H](CN1CCOCC1)NC(=O)CSc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O2S/c1-15(13-23-8-10-25-11-9-23)21-18(24)14-26-19-20-12-17(22(19)2)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyVAMTXUKQHKWXLJ-OAHLLOKOSA-N
MW374.51 g/mol
LogP2.02
Rot. Bonds7

About 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide

2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide (PubChem CID 52529830) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
PubChem CID52529830
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
SMILESC[C@H](CN1CCOCC1)NC(=O)CSc1ncc(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O2S/c1-15(13-23-8-10-25-11-9-23)21-18(24)14-26-19-20-12-17(22(19)2)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyVAMTXUKQHKWXLJ-OAHLLOKOSA-N
XLogP2.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

Analyze 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?
The IUPAC name of 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide (CID 52529830) is 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide is C[C@H](CN1CCOCC1)NC(=O)CSc1ncc(-c2ccccc2)n1C.
What is the InChIKey of 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?
The InChIKey is VAMTXUKQHKWXLJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15(13-23-8-10-25-11-9-23)21-18(24)14-26-19-20-12-17(22(19)2)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide?
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide is sourced from PubChem (CID 52529830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).