N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide

C18H18N4O3S — CID 56869896

IUPACN-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)21-16-6-4-15(5-7-16)18-20-10-11-22(18)12-14-2-8-17(9-3-14)26(19,24)25/h2-11H,12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyFRVLWEIICWAHMD-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.20
Rot. Bonds5

About N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide

N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide (PubChem CID 56869896) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
PubChem CID56869896
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H18N4O3S/c1-13(23)21-16-6-4-15(5-7-16)18-20-10-11-22(18)12-14-2-8-17(9-3-14)26(19,24)25/h2-11H,12H2,1H3,(H,21,23)(H2,19,24,25)
InChIKeyFRVLWEIICWAHMD-UHFFFAOYSA-N
XLogP2.20
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-benzylimidazol-2-yl)phenyl]acetamide
CID 82559363
N-[4-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 56748652
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
N-[4-[1-(1,3-thiazol-2-ylmethyl)imidazol-2-yl]phenyl]acetamide
CID 70732819
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
N-[4-[1-[2-(2-oxopyrrolidin-1-yl)ethyl]imidazol-2-yl]phenyl]acetamide
CID 56867925
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
3-(4-fluorophenyl)sulfonyl-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]butanamide
CID 86904048
N-[4-[[1-[(4-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201934

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide (CID 56869896) is N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nccn2Cc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide?
The InChIKey is FRVLWEIICWAHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13(23)21-16-6-4-15(5-7-16)18-20-10-11-22(18)12-14-2-8-17(9-3-14)26(19,24)25/h2-11H,12H2,1H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide?
N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-sulfamoylphenyl)methyl]imidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 56869896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).