3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C32H32N6O5S2 — CID 25038153

IUPAC3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32N6O5S2/c1-20-19-21(2)34-31(33-20)38-45(40,41)27-15-9-24(10-16-27)35-28(39)17-18-44-32-36-29(22-5-11-25(42-3)12-6-22)30(37-32)23-7-13-26(43-4)14-8-23/h5-16,19H,17-18H2,1-4H3,(H,35,39)(H,36,37)(H,33,34,38)
InChIKeyXVYSUKSVJOMHJD-UHFFFAOYSA-N
MW644.78 g/mol
LogP6.09
Rot. Bonds12

About 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25038153) has the molecular formula C32H32N6O5S2 and a molecular weight of 644.78 g/mol. Its IUPAC name is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID25038153
Molecular FormulaC32H32N6O5S2
Molecular Weight644.78 g/mol
Exact Mass644.19
IUPAC Name3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H32N6O5S2/c1-20-19-21(2)34-31(33-20)38-45(40,41)27-15-9-24(10-16-27)35-28(39)17-18-44-32-36-29(22-5-11-25(42-3)12-6-22)30(37-32)23-7-13-26(43-4)14-8-23/h5-16,19H,17-18H2,1-4H3,(H,35,39)(H,36,37)(H,33,34,38)
InChIKeyXVYSUKSVJOMHJD-UHFFFAOYSA-N
XLogP6.09
TPSA148.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.78
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039874
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25049653
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-iodophenyl)propanamide
CID 23889215
4-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804200
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 25043447
N-[4-(acetylsulfamoyl)phenyl]-3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25042312
3-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propanoylamino]benzoic acid
CID 23804202
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25036402
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23973205
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861401
3-[[4,5-bis(furan-2-yl)-1H-imidazol-2-yl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25038151

Frequently Asked Questions

What is the IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 25038153) is 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is COc1ccc(-c2nc(SCCC(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is XVYSUKSVJOMHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O5S2/c1-20-19-21(2)34-31(33-20)38-45(40,41)27-15-9-24(10-16-27)35-28(39)17-18-44-32-36-29(22-5-11-25(42-3)12-6-22)30(37-32)23-7-13-26(43-4)14-8-23/h5-16,19H,17-18H2,1-4H3,(H,35,39)(H,36,37)(H,33,34,38).
What are the key properties of 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 644.78 g/mol, XLogP of 6.09, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).