N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C24H26N6O3S2 — CID 16507709

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)ccc1C
InChIInChI=1S/C24H26N6O3S2/c1-4-29(5-2)35(32,33)21-13-18(12-11-17(21)3)28-22(31)15-34-24-20-14-27-30(23(20)25-16-26-24)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3,(H,28,31)
InChIKeyBNMKZJVVTGDRRN-UHFFFAOYSA-N
MW510.65 g/mol
LogP3.89
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 16507709) has the molecular formula C24H26N6O3S2 and a molecular weight of 510.65 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID16507709
Molecular FormulaC24H26N6O3S2
Molecular Weight510.65 g/mol
Exact Mass510.15
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)ccc1C
InChIInChI=1S/C24H26N6O3S2/c1-4-29(5-2)35(32,33)21-13-18(12-11-17(21)3)28-22(31)15-34-24-20-14-27-30(23(20)25-16-26-24)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3,(H,28,31)
InChIKeyBNMKZJVVTGDRRN-UHFFFAOYSA-N
XLogP3.89
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.65
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide
CID 4187636
N-(4-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 3810099
2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16507574
N-(3-methyl-1,2-oxazol-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 18135032
N-(2,6-dibromo-4-methylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2048715
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 9319985
N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 27830071
N-[4-[[2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]amino]-2-methylphenyl]propanamide
CID 1445514
2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 2042918
N-(2-chloro-5-methylsulfonylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2662167
2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1445363

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 16507709) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is BNMKZJVVTGDRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S2/c1-4-29(5-2)35(32,33)21-13-18(12-11-17(21)3)28-22(31)15-34-24-20-14-27-30(23(20)25-16-26-24)19-9-7-6-8-10-19/h6-14,16H,4-5,15H2,1-3H3,(H,28,31).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 510.65 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16507709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).