3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C23H26N4O3S — CID 55884527

IUPAC3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc(C)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-11-18(13-21(16(15)2)31(29,30)24-3)23(28)25-19-8-6-7-17(12-19)20-14-27-10-5-4-9-22(27)26-20/h6-8,11-14,24H,4-5,9-10H2,1-3H3,(H,25,28)
InChIKeyMLKMRCZFHYQEMJ-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.66
Rot. Bonds5

About 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 55884527) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID55884527
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc(C)c1C
InChIInChI=1S/C23H26N4O3S/c1-15-11-18(13-21(16(15)2)31(29,30)24-3)23(28)25-19-8-6-7-17(12-19)20-14-27-10-5-4-9-22(27)26-20/h6-8,11-14,24H,4-5,9-10H2,1-3H3,(H,25,28)
InChIKeyMLKMRCZFHYQEMJ-UHFFFAOYSA-N
XLogP3.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
3-(dimethylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 86933739
3-[methyl(phenyl)sulfamoyl]-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885038
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525309
2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525962
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 37179991
N-[5-[[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55885300
4-(phenylsulfamoyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885317
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
CID 55551931
2-(2-cyanophenyl)sulfanyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525249

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 55884527) is 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is CNS(=O)(=O)c1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is MLKMRCZFHYQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-15-11-18(13-21(16(15)2)31(29,30)24-3)23(28)25-19-8-6-7-17(12-19)20-14-27-10-5-4-9-22(27)26-20/h6-8,11-14,24H,4-5,9-10H2,1-3H3,(H,25,28).
What are the key properties of 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 55884527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).