N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C21H20N4O2S — CID 35040334

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H20N4O2S/c26-19(14-28-21-22-13-18(24-21)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)25-11-5-10-20(25)27/h1-4,6-9,12-13H,5,10-11,14H2,(H,22,24)(H,23,26)
InChIKeyNDOAEEKXUGJKRN-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.93
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 35040334) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID35040334
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H20N4O2S/c26-19(14-28-21-22-13-18(24-21)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)25-11-5-10-20(25)27/h1-4,6-9,12-13H,5,10-11,14H2,(H,22,24)(H,23,26)
InChIKeyNDOAEEKXUGJKRN-UHFFFAOYSA-N
XLogP3.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41497597
2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 37045599
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
2-cyclohexylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 134042025
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 24601372
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896857
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 35040334) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is NDOAEEKXUGJKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-19(14-28-21-22-13-18(24-21)15-6-2-1-3-7-15)23-16-8-4-9-17(12-16)25-11-5-10-20(25)27/h1-4,6-9,12-13H,5,10-11,14H2,(H,22,24)(H,23,26).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 35040334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).