N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide

C26H25N3O3S — CID 23970510

IUPACN-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1
InChIInChI=1S/C26H25N3O3S/c1-17(25(30)27-20-14-21(31-2)16-22(15-20)32-3)33-26-28-23(18-10-6-4-7-11-18)24(29-26)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,27,30)(H,28,29)
InChIKeyOJIVGOMYOSCJIX-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.88
Rot. Bonds8

About N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide

N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide (PubChem CID 23970510) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
PubChem CID23970510
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1
InChIInChI=1S/C26H25N3O3S/c1-17(25(30)27-20-14-21(31-2)16-22(15-20)32-3)33-26-28-23(18-10-6-4-7-11-18)24(29-26)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,27,30)(H,28,29)
InChIKeyOJIVGOMYOSCJIX-UHFFFAOYSA-N
XLogP5.88
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23858757
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25038305
2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 135667079
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 6919625
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25046340
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide
CID 23942554
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 6501404
ethyl 4-[2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoate
CID 23886555
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045818

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide (CID 23970510) is N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide is COc1cc(NC(=O)C(C)Sc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The InChIKey is OJIVGOMYOSCJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17(25(30)27-20-14-21(31-2)16-22(15-20)32-3)33-26-28-23(18-10-6-4-7-11-18)24(29-26)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide has a molecular weight of 459.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 23970510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).