N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

C19H20N4OS — CID 95287151

IUPACN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESC[C@@H](NC(=O)CSCc1ccccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H20N4OS/c1-14(19-21-11-17(23-19)15-7-3-2-4-8-15)22-18(24)13-25-12-16-9-5-6-10-20-16/h2-11,14H,12-13H2,1H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyJUKWGFWIMBXFCR-CQSZACIVSA-N
MW352.46 g/mol
LogP3.58
Rot. Bonds7

About N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide

N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (PubChem CID 95287151) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
PubChem CID95287151
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
SMILESC[C@@H](NC(=O)CSCc1ccccn1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H20N4OS/c1-14(19-21-11-17(23-19)15-7-3-2-4-8-15)22-18(24)13-25-12-16-9-5-6-10-20-16/h2-11,14H,12-13H2,1H3,(H,21,23)(H,22,24)/t14-/m1/s1
InChIKeyJUKWGFWIMBXFCR-CQSZACIVSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
N-[(1R)-1-[3-(4-methyl-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 100709208
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 52522199
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302
4-oxo-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-4-thiophen-2-ylbutanamide
CID 52513389
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
2-[(4-cyanophenyl)methylsulfanyl]-N-[1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethyl]acetamide
CID 71914945
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]ethyl]acetamide
CID 97088110
N-[2-(methylamino)propyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120827351

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide (CID 95287151) is N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is C[C@@H](NC(=O)CSCc1ccccn1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
The InChIKey is JUKWGFWIMBXFCR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14(19-21-11-17(23-19)15-7-3-2-4-8-15)22-18(24)13-25-12-16-9-5-6-10-20-16/h2-11,14H,12-13H2,1H3,(H,21,23)(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide?
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 95287151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).