N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide

C22H21N5O3S — CID 122285926

IUPACN-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c(C)c1
InChIInChI=1S/C22H21N5O3S/c1-14-12-18(24-16(3)28)8-9-20(14)31(29,30)26-19-7-4-6-17(13-19)21-15(2)27-11-5-10-23-22(27)25-21/h4-13,26H,1-3H3,(H,24,28)
InChIKeyLVYYMAXDDBORIH-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.77
Rot. Bonds5

About N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide

N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 122285926) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID122285926
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c(C)c1
InChIInChI=1S/C22H21N5O3S/c1-14-12-18(24-16(3)28)8-9-20(14)31(29,30)26-19-7-4-6-17(13-19)21-15(2)27-11-5-10-23-22(27)25-21/h4-13,26H,1-3H3,(H,24,28)
InChIKeyLVYYMAXDDBORIH-UHFFFAOYSA-N
XLogP3.77
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024250
4-methoxy-2,5-dimethyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024231
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]quinoline-8-sulfonamide
CID 122285761
5-bromo-2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024258
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080310
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 121024155
3-chloro-4-fluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 122285892
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080309
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide (CID 122285926) is N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ncccn4c3C)c2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is LVYYMAXDDBORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-14-12-18(24-16(3)28)8-9-20(14)31(29,30)26-19-7-4-6-17(13-19)21-15(2)27-11-5-10-23-22(27)25-21/h4-13,26H,1-3H3,(H,24,28).
What are the key properties of N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide?
N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 435.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 122285926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).