2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C22H28N2O2S — CID 8513757

IUPAC2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H28N2O2S/c25-20(14-27-22-11-15-8-16(12-22)10-17(9-15)13-22)23-18-3-5-19(6-4-18)24-7-1-2-21(24)26/h3-6,15-17H,1-2,7-14H2,(H,23,25)
InChIKeyXWCPGGOUQUAJDJ-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.45
Rot. Bonds5

About 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8513757) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8513757
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESO=C(CSC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H28N2O2S/c25-20(14-27-22-11-15-8-16(12-22)10-17(9-15)13-22)23-18-3-5-19(6-4-18)24-7-1-2-21(24)26/h3-6,15-17H,1-2,7-14H2,(H,23,25)
InChIKeyXWCPGGOUQUAJDJ-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-(1-adamantylsulfanyl)acetyl]phenyl]pyrrolidin-2-one
CID 8513753
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 8512864
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl] pyrrolidine-1-carbodithioate
CID 8694503
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935481
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46421016
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
CID 119270721

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8513757) is 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is O=C(CSC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is XWCPGGOUQUAJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c25-20(14-27-22-11-15-8-16(12-22)10-17(9-15)13-22)23-18-3-5-19(6-4-18)24-7-1-2-21(24)26/h3-6,15-17H,1-2,7-14H2,(H,23,25).
What are the key properties of 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8513757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).