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'}

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Related Compounds

Cbs-3595
CID 11639342
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
2-{4-[4-(4-Fluoro-phenyl)-3-(2-methoxy-ethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin-2-ylamino}-propan-1-ol
CID 24905909
N-cyclopentyl-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 3214251
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3430647
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-ethanone
CID 1169875
1-(2-Butoxy-ethyl)-1-[5-(4,5-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-3-isopropyl-urea
CID 10436790
N-(4-(4-(4-Fluorophenyl)-1-methyl-2-(methylthio)-1H-imidazol-5-YL)pyridin-2-YL)acetamide
CID 10450926
N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-3-propylimidazol-4-yl]-2-pyridinyl]acetamide
CID 11014483
N-{4-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)-2-methylsulfanyl-3H-imidazol-4-yl]pyridin-2-yl}acetamide
CID 11188782
N-(4-(5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanyl-3H-imidazol-4-yl)pyridin-2-yl)acetamide
CID 11304134
N-{4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)-2-methylsulfanyl-3H-imidazol-4-yl]pyridin-2-yl}acetamide
CID 11315961

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).