N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C23H32N6O4S — CID 43025835

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)c1
InChIInChI=1S/C23H32N6O4S/c1-7-28(8-2)34(31,32)18-9-11-21(33-15(3)4)20(13-18)27-22(30)12-10-19-16(5)26-23-24-14-25-29(23)17(19)6/h9,11,13-15H,7-8,10,12H2,1-6H3,(H,27,30)
InChIKeyBGTHDYVDRDINDL-UHFFFAOYSA-N
MW488.61 g/mol
LogP3.13
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 43025835) has the molecular formula C23H32N6O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID43025835
Molecular FormulaC23H32N6O4S
Molecular Weight488.61 g/mol
Exact Mass488.22
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)c1
InChIInChI=1S/C23H32N6O4S/c1-7-28(8-2)34(31,32)18-9-11-21(33-15(3)4)20(13-18)27-22(30)12-10-19-16(5)26-23-24-14-25-29(23)17(19)6/h9,11,13-15H,7-8,10,12H2,1-6H3,(H,27,30)
InChIKeyBGTHDYVDRDINDL-UHFFFAOYSA-N
XLogP3.13
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 4843317
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N'-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 34560913
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-hydroxyphenyl)propanamide
CID 51284456
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968591
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-propan-2-ylpropanamide
CID 20863520
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9404851
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-phenoxyphenyl)propanamide
CID 33251166
N-[4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]phenyl]-3-methylbutanamide
CID 46541559
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide
CID 55454146

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 43025835) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2c(C)nc3ncnn3c2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is BGTHDYVDRDINDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4S/c1-7-28(8-2)34(31,32)18-9-11-21(33-15(3)4)20(13-18)27-22(30)12-10-19-16(5)26-23-24-14-25-29(23)17(19)6/h9,11,13-15H,7-8,10,12H2,1-6H3,(H,27,30).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 488.61 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 43025835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).