N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

C24H24N2O3S — CID 24613805

IUPACN-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1ccc(C(NC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-9-11-18(12-10-17)24(21-7-4-14-30-21)25-22(27)16-29-20-6-2-5-19(15-20)26-13-3-8-23(26)28/h2,4-7,9-12,14-15,24H,3,8,13,16H2,1H3,(H,25,27)
InChIKeyIUQZQFZNHZRYOC-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.47
Rot. Bonds7

About N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide

N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (PubChem CID 24613805) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
PubChem CID24613805
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
SMILESCc1ccc(C(NC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)cc1
InChIInChI=1S/C24H24N2O3S/c1-17-9-11-18(12-10-17)24(21-7-4-14-30-21)25-22(27)16-29-20-6-2-5-19(15-20)26-13-3-8-23(26)28/h2,4-7,9-12,14-15,24H,3,8,13,16H2,1H3,(H,25,27)
InChIKeyIUQZQFZNHZRYOC-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 8854678
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(3-methylphenoxy)acetamide
CID 17492974
N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46580236
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
2-(3,5-dimethylphenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8853783
2-(3,5-dimethylphenoxy)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41442393
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78871045
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The IUPAC name of N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide (CID 24613805) is N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is Cc1ccc(C(NC(=O)COc2cccc(N3CCCC3=O)c2)c2cccs2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
The InChIKey is IUQZQFZNHZRYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-17-9-11-18(12-10-17)24(21-7-4-14-30-21)25-22(27)16-29-20-6-2-5-19(15-20)26-13-3-8-23(26)28/h2,4-7,9-12,14-15,24H,3,8,13,16H2,1H3,(H,25,27).
What are the key properties of N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide?
N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide has a molecular weight of 420.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide is sourced from PubChem (CID 24613805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).