5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide

C22H22FN3O2S2 — CID 59481210

IUPAC5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1sc(N2CCN(Cc3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C22H22FN3O2S2/c1-14-7-10-29-18(14)12-24-21(27)20-15(2)11-19(30-20)26-9-8-25(22(26)28)13-16-3-5-17(23)6-4-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyYGSORLVJENINEH-UHFFFAOYSA-N
MW443.57 g/mol
LogP4.94
Rot. Bonds6

About 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide

5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 59481210) has the molecular formula C22H22FN3O2S2 and a molecular weight of 443.57 g/mol. Its IUPAC name is 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID59481210
Molecular FormulaC22H22FN3O2S2
Molecular Weight443.57 g/mol
Exact Mass443.11
IUPAC Name5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccsc1CNC(=O)c1sc(N2CCN(Cc3ccc(F)cc3)C2=O)cc1C
InChIInChI=1S/C22H22FN3O2S2/c1-14-7-10-29-18(14)12-24-21(27)20-15(2)11-19(30-20)26-9-8-25(22(26)28)13-16-3-5-17(23)6-4-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyYGSORLVJENINEH-UHFFFAOYSA-N
XLogP4.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 59481182
N-(1,3-benzothiazol-2-ylmethyl)-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481214
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methylthiophene-2-carboxamide
CID 59481266
1-[5-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]-4-methylthiophen-2-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 58031490
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(3-methylimidazol-4-yl)propanoyl]thiophen-2-yl]imidazolidin-2-one
CID 58031413
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 44552917
5-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-3-methyl-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 59481251
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyridine-4-carboxamide
CID 141255919

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide (CID 59481210) is 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide is Cc1ccsc1CNC(=O)c1sc(N2CCN(Cc3ccc(F)cc3)C2=O)cc1C.
What is the InChIKey of 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YGSORLVJENINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S2/c1-14-7-10-29-18(14)12-24-21(27)20-15(2)11-19(30-20)26-9-8-25(22(26)28)13-16-3-5-17(23)6-4-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,24,27).
What are the key properties of 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide?
5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-3-methyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59481210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).