N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide

C25H24N4O4S — CID 67809218

IUPACN-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)=O)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24N4O4S/c1-17-15-29(16-26-17)23-13-12-21(14-24(23)33-3)28-34(31,32)25-7-5-4-6-22(25)19-8-10-20(11-9-19)27-18(2)30/h4-16,28H,1-3H3,(H,27,30)
InChIKeyLJBHHVWCVRFXGA-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.62
Rot. Bonds7

About N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide

N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide (PubChem CID 67809218) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
PubChem CID67809218
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)=O)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24N4O4S/c1-17-15-29(16-26-17)23-13-12-21(14-24(23)33-3)28-34(31,32)25-7-5-4-6-22(25)19-8-10-20(11-9-19)27-18(2)30/h4-16,28H,1-3H3,(H,27,30)
InChIKeyLJBHHVWCVRFXGA-UHFFFAOYSA-N
XLogP4.62
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67702345
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
2-isoquinolin-5-yl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700505
2-[2-chloro-4-(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67808781
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
4-(1-benzothiophen-3-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67808033
[2-(4-fluorophenyl)phenyl]-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanone
CID 166069593
2-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-phenylpyrimidin-4-yl]-2-phenylacetic acid
CID 68630360
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855699
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide (CID 67809218) is N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide is COc1cc(NS(=O)(=O)c2ccccc2-c2ccc(NC(C)=O)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide?
The InChIKey is LJBHHVWCVRFXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-15-29(16-26-17)23-13-12-21(14-24(23)33-3)28-34(31,32)25-7-5-4-6-22(25)19-8-10-20(11-9-19)27-18(2)30/h4-16,28H,1-3H3,(H,27,30).
What are the key properties of N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide?
N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide has a molecular weight of 476.56 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]sulfamoyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 67809218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).