N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide

C26H22N4O2S — CID 100662177

IUPACN-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C26H22N4O2S/c31-23(28-19-11-5-2-6-12-19)17-30-25(24(29-26(30)33)20-13-7-8-16-27-20)22-15-14-21(32-22)18-9-3-1-4-10-18/h1-16,24-25H,17H2,(H,28,31)(H,29,33)/t24-,25-/m1/s1
InChIKeyZBRKLKWJGFNIJX-JWQCQUIFSA-N
MW454.56 g/mol
LogP4.95
Rot. Bonds6

About N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide

N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide (PubChem CID 100662177) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide
PubChem CID100662177
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC NameN-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide
SMILESO=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1)Nc1ccccc1
InChIInChI=1S/C26H22N4O2S/c31-23(28-19-11-5-2-6-12-19)17-30-25(24(29-26(30)33)20-13-7-8-16-27-20)22-15-14-21(32-22)18-9-3-1-4-10-18/h1-16,24-25H,17H2,(H,28,31)(H,29,33)/t24-,25-/m1/s1
InChIKeyZBRKLKWJGFNIJX-JWQCQUIFSA-N
XLogP4.95
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100662336
N-phenyl-3-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100669949
N-phenyl-3-[5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133208560
3-[(4R,5R)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100669964
2-[(4S,5S)-5-(5-methylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100655295
3-[(4S,5R)-5-[5-(4-chlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670011
3-[(4R,5R)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670041
methyl 2-[5-[3-(2-anilino-2-oxoethyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoate
CID 133208432
N-(4-fluorophenyl)-3-[(4R,5S)-5-[5-(4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100692797
2-[(4R,5R)-5-[5-(2-bromo-4-methylphenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100663127
3-[5-[(4R,5R)-3-(2-anilino-2-oxoethyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]-4-chlorobenzoic acid
CID 100663357
3-[(4R,5S)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylpropanamide
CID 100670390

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide (CID 100662177) is N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide is O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide?
The InChIKey is ZBRKLKWJGFNIJX-JWQCQUIFSA-N. The full InChI is InChI=1S/C26H22N4O2S/c31-23(28-19-11-5-2-6-12-19)17-30-25(24(29-26(30)33)20-13-7-8-16-27-20)22-15-14-21(32-22)18-9-3-1-4-10-18/h1-16,24-25H,17H2,(H,28,31)(H,29,33)/t24-,25-/m1/s1.
What are the key properties of N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide?
N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide has a molecular weight of 454.56 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(4S,5S)-5-(5-phenylfuran-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]acetamide is sourced from PubChem (CID 100662177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).