2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C28H24N6O3S2 — CID 25046340

IUPAC2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C28H24N6O3S2/c1-19(26(35)31-22-13-15-23(16-14-22)39(36,37)34-27-29-17-8-18-30-27)38-28-32-24(20-9-4-2-5-10-20)25(33-28)21-11-6-3-7-12-21/h2-19H,1H3,(H,31,35)(H,32,33)(H,29,30,34)
InChIKeyHNNUNHVCHCYEQZ-UHFFFAOYSA-N
MW556.67 g/mol
LogP5.45
Rot. Bonds9

About 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25046340) has the molecular formula C28H24N6O3S2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID25046340
Molecular FormulaC28H24N6O3S2
Molecular Weight556.67 g/mol
Exact Mass556.14
IUPAC Name2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C28H24N6O3S2/c1-19(26(35)31-22-13-15-23(16-14-22)39(36,37)34-27-29-17-8-18-30-27)38-28-32-24(20-9-4-2-5-10-20)25(33-28)21-11-6-3-7-12-21/h2-19H,1H3,(H,31,35)(H,32,33)(H,29,30,34)
InChIKeyHNNUNHVCHCYEQZ-UHFFFAOYSA-N
XLogP5.45
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 25045818
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25036402
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 22110231
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25038005
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25038305
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 25043711
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23970510
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 6919625
2-(4-phenylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 2968466

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 25046340) is 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CC(Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.
What is the InChIKey of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is HNNUNHVCHCYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3S2/c1-19(26(35)31-22-13-15-23(16-14-22)39(36,37)34-27-29-17-8-18-30-27)38-28-32-24(20-9-4-2-5-10-20)25(33-28)21-11-6-3-7-12-21/h2-19H,1H3,(H,31,35)(H,32,33)(H,29,30,34).
What are the key properties of 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 556.67 g/mol, XLogP of 5.45, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25046340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).