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

C18H21N3O2S — CID 3575746

IUPAC2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCc3cccs3)C2=O)c1
InChIInChI=1S/C18H21N3O2S/c1-14-4-2-5-15(10-14)12-20-7-8-21(18(20)23)13-17(22)19-11-16-6-3-9-24-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,19,22)
InChIKeyNIELEHZTIFKFDP-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.61
Rot. Bonds6

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

2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3575746) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3575746
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cccc(CN2CCN(CC(=O)NCc3cccs3)C2=O)c1
InChIInChI=1S/C18H21N3O2S/c1-14-4-2-5-15(10-14)12-20-7-8-21(18(20)23)13-17(22)19-11-16-6-3-9-24-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,19,22)
InChIKeyNIELEHZTIFKFDP-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3575746) is 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cccc(CN2CCN(CC(=O)NCc3cccs3)C2=O)c1.
What is the InChIKey of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NIELEHZTIFKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-4-2-5-15(10-14)12-20-7-8-21(18(20)23)13-17(22)19-11-16-6-3-9-24-16/h2-6,9-10H,7-8,11-13H2,1H3,(H,19,22).
What are the key properties of 2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-[(3-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-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3575746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).