N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide

C23H22N4O2S — CID 11247101

IUPACN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C23H22N4O2S/c28-22(16-29-19-4-2-1-3-5-19)26-17-6-10-20(11-7-17)30-21-12-8-18(9-13-21)27-23-24-14-15-25-23/h1-13H,14-16H2,(H,26,28)(H2,24,25,27)
InChIKeyMTOIUAZTOGAENH-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.23
Rot. Bonds7

About N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide

N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide (PubChem CID 11247101) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide
PubChem CID11247101
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C23H22N4O2S/c28-22(16-29-19-4-2-1-3-5-19)26-17-6-10-20(11-7-17)30-21-12-8-18(9-13-21)27-23-24-14-15-25-23/h1-13H,14-16H2,(H,26,28)(H2,24,25,27)
InChIKeyMTOIUAZTOGAENH-UHFFFAOYSA-N
XLogP4.23
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenoxyacetamide
CID 112988677
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
N-(4-chlorophenyl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]acetamide
CID 127037567
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
N-[4-[2-oxo-2-(N-phenylanilino)ethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 23096407
N-[4-(cyclopropylamino)phenyl]-2-phenoxyacetamide
CID 112979976
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
N-[4-(bromomethyl)phenyl]-2-phenoxyacetamide
CID 114310874
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-[4-(2-methoxyanilino)phenyl]-2-phenoxyacetamide
CID 112987353

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide (CID 11247101) is N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide?
The InChIKey is MTOIUAZTOGAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-22(16-29-19-4-2-1-3-5-19)26-17-6-10-20(11-7-17)30-21-12-8-18(9-13-21)27-23-24-14-15-25-23/h1-13H,14-16H2,(H,26,28)(H2,24,25,27).
What are the key properties of N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide?
N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide has a molecular weight of 418.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]-2-phenoxyacetamide is sourced from PubChem (CID 11247101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).