N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide

C24H22FN3O3S — CID 42559181

IUPACN-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-10-19(11-9-18)26-22(29)15-21-23(30)27(13-12-17-5-2-1-3-6-17)24(32)28(21)16-20-7-4-14-31-20/h1-11,14,21H,12-13,15-16H2,(H,26,29)/t21-/m0/s1
InChIKeyUKKUPVDGQAZGQP-NRFANRHFSA-N
MW451.52 g/mol
LogP3.99
Rot. Bonds8

About N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide

N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (PubChem CID 42559181) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
PubChem CID42559181
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(F)cc1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-10-19(11-9-18)26-22(29)15-21-23(30)27(13-12-17-5-2-1-3-6-17)24(32)28(21)16-20-7-4-14-31-20/h1-11,14,21H,12-13,15-16H2,(H,26,29)/t21-/m0/s1
InChIKeyUKKUPVDGQAZGQP-NRFANRHFSA-N
XLogP3.99
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.99
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

2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3288725
2-[3-(1,3-benzodioxol-5-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 3837639
2-[(4S)-1-ethyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 7025975
N-(4-fluorophenyl)-2-[1-methyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 2892610
2-[3-[(4-chlorophenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4047613
2-(3-benzyl-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
CID 2892579
2-[5-oxo-1-(2-phenylethyl)-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 5107080
N-(4-fluorophenyl)-2-[(4S)-1-(4-fluorophenyl)-3-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28873979
2-[1-benzyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 2950160
2-[3-[(4-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-phenylacetamide
CID 4531717
2-[(4S)-1-benzyl-5-oxo-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-chlorophenyl)acetamide
CID 29010399
methyl 4-[[2-[(4R)-5-oxo-1,3-bis(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
CID 40971822

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide (CID 42559181) is N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is O=C(C[C@H]1C(=O)N(CCc2ccccc2)C(=S)N1Cc1ccco1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
The InChIKey is UKKUPVDGQAZGQP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-18-8-10-19(11-9-18)26-22(29)15-21-23(30)27(13-12-17-5-2-1-3-6-17)24(32)28(21)16-20-7-4-14-31-20/h1-11,14,21H,12-13,15-16H2,(H,26,29)/t21-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide?
N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide has a molecular weight of 451.52 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4S)-3-(furan-2-ylmethyl)-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide is sourced from PubChem (CID 42559181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).