2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C18H21N3O2S — CID 3511301

IUPAC2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C18H21N3O2S/c1-14-5-2-3-6-15(14)12-20-8-9-21(18(20)23)13-17(22)19-11-16-7-4-10-24-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,22)
InChIKeyGJEYZDNNLHVAEK-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.61
Rot. Bonds6

About 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3511301) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3511301
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)NCc2cccs2)C1=O
InChIInChI=1S/C18H21N3O2S/c1-14-5-2-3-6-15(14)12-20-8-9-21(18(20)23)13-17(22)19-11-16-7-4-10-24-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,22)
InChIKeyGJEYZDNNLHVAEK-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidin-2-one
CID 122174898
N-[(4-fluorophenyl)methyl]-2-[4-[(2-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063897
2-[2-(2-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 60505182
N-[2-(2-methylphenyl)ethyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 8834788
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]-2-thiophen-2-ylacetamide
CID 56835627
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3241840
5-[1-[(2-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(thiophen-2-ylmethyl)pentanamide
CID 27371272
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
N-[(2-bromophenyl)methyl]-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 87049929
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
2-methyl-1-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111257495

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3511301) is 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1CN1CCN(CC(=O)NCc2cccs2)C1=O.
What is the InChIKey of 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GJEYZDNNLHVAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-5-2-3-6-15(14)12-20-8-9-21(18(20)23)13-17(22)19-11-16-7-4-10-24-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,22).
What are the key properties of 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3511301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).