N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide

C27H32N2O2S — CID 75533638

IUPACN-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CCCN1c1ccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H32N2O2S/c30-25-4-1-9-28(25)23-7-5-19(6-8-23)14-26(31)29(18-24-3-2-10-32-24)27-15-20-11-21(16-27)13-22(12-20)17-27/h2-3,5-8,10,20-22H,1,4,9,11-18H2
InChIKeyHWGZWGFRPOSLII-UHFFFAOYSA-N
MW448.63 g/mol
LogP5.41
Rot. Bonds6

About N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide

N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 75533638) has the molecular formula C27H32N2O2S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID75533638
Molecular FormulaC27H32N2O2S
Molecular Weight448.63 g/mol
Exact Mass448.22
IUPAC NameN-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C1CCCN1c1ccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C27H32N2O2S/c30-25-4-1-9-28(25)23-7-5-19(6-8-23)14-26(31)29(18-24-3-2-10-32-24)27-15-20-11-21(16-27)13-22(12-20)17-27/h2-3,5-8,10,20-22H,1,4,9,11-18H2
InChIKeyHWGZWGFRPOSLII-UHFFFAOYSA-N
XLogP5.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 24511008
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
N-(oxolan-2-ylmethyl)-4-(2-oxopiperidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 134041333
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
1-[4-(thiophen-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 43229073
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3-thiophen-2-ylpropanoate
CID 8934953
3-(2-oxopyrrolidin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78813579
4-[[cyclopropyl-[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]methyl]benzamide
CID 38371529
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25496038
(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 125160348
(E)-N-[(2-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 55498850

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide (CID 75533638) is N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide is O=C1CCCN1c1ccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HWGZWGFRPOSLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2S/c30-25-4-1-9-28(25)23-7-5-19(6-8-23)14-26(31)29(18-24-3-2-10-32-24)27-15-20-11-21(16-27)13-22(12-20)17-27/h2-3,5-8,10,20-22H,1,4,9,11-18H2.
What are the key properties of N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide?
N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 448.63 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 75533638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).