N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

C23H26FN3O3S — CID 4920114

IUPACN-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1
InChIInChI=1S/C23H26FN3O3S/c1-3-25-21(28)14-20-22(29)27(15-17-4-8-18(24)9-5-17)23(31)26(20)13-12-16-6-10-19(30-2)11-7-16/h4-11,20H,3,12-15H2,1-2H3,(H,25,28)
InChIKeyWOIVWEREGUALEA-UHFFFAOYSA-N
MW443.54 g/mol
LogP2.90
Rot. Bonds9

About N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide

N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 4920114) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID4920114
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESCCNC(=O)CC1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1
InChIInChI=1S/C23H26FN3O3S/c1-3-25-21(28)14-20-22(29)27(15-17-4-8-18(24)9-5-17)23(31)26(20)13-12-16-6-10-19(30-2)11-7-16/h4-11,20H,3,12-15H2,1-2H3,(H,25,28)
InChIKeyWOIVWEREGUALEA-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4S)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylidene-1-(thiophen-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 26526321
ethyl 4-[[2-[(4S)-1-benzyl-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 92907478
2-[3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-methoxyphenyl)acetamide
CID 3800681
2-[(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 41015659
2-[(4S)-1-benzyl-3-[(4-methoxyphenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 40922337
2-[3-[(4-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4531717
ethyl 4-[[2-[(4S)-3-[2-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 1045978
ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate
CID 3739864
N-(4-chlorophenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3756271
N-(4-chlorophenyl)-2-[(4R)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 26525219
N-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3844987
2-[(4S)-1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 7025975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 4920114) is N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is CCNC(=O)CC1C(=O)N(Cc2ccc(F)cc2)C(=S)N1CCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is WOIVWEREGUALEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-3-25-21(28)14-20-22(29)27(15-17-4-8-18(24)9-5-17)23(31)26(20)13-12-16-6-10-19(30-2)11-7-16/h4-11,20H,3,12-15H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 443.54 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 4920114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).