N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

C75H60N16O6S4 — CID 160664958

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)n1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C26H19N5OS.C25H19N5O2S.C24H22N6O3S2/c32-25(30-20-8-9-22-19(12-20)11-17-5-1-2-7-21(17)22)18-6-3-4-16(10-18)14-33-26-23-13-29-31-24(23)27-15-28-26;31-24(29-19-8-5-11-21(13-19)32-20-9-2-1-3-10-20)18-7-4-6-17(12-18)15-33-25-22-14-28-30-23(22)26-16-27-25;1-16-12-17(2)28-24(27-16)30-35(32,33)21-8-6-20(7-9-21)29-23(31)19-5-3-4-18(13-19)15-34-22-14-25-10-11-26-22/h1-10,12-13,15H,11,14H2,(H,30,32)(H,27,28,29,31);1-14,16H,15H2,(H,29,31)(H,26,27,28,30);3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyRMDZEJIERXIKCD-UHFFFAOYSA-N
MW1409.68 g/mol
LogP15.39
Rot. Bonds20

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (PubChem CID 160664958) has the molecular formula C75H60N16O6S4 and a molecular weight of 1409.68 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
PubChem CID160664958
Molecular FormulaC75H60N16O6S4
Molecular Weight1409.68 g/mol
Exact Mass1408.38
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)n1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1
InChIInChI=1S/C26H19N5OS.C25H19N5O2S.C24H22N6O3S2/c32-25(30-20-8-9-22-19(12-20)11-17-5-1-2-7-21(17)22)18-6-3-4-16(10-18)14-33-26-23-13-29-31-24(23)27-15-28-26;31-24(29-19-8-5-11-21(13-19)32-20-9-2-1-3-10-20)18-7-4-6-17(12-18)15-33-25-22-14-28-30-23(22)26-16-27-25;1-16-12-17(2)28-24(27-16)30-35(32,33)21-8-6-20(7-9-21)29-23(31)19-5-3-4-18(13-19)15-34-22-14-25-10-11-26-22/h1-10,12-13,15H,11,14H2,(H,30,32)(H,27,28,29,31);1-14,16H,15H2,(H,29,31)(H,26,27,28,30);3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30)
InChIKeyRMDZEJIERXIKCD-UHFFFAOYSA-N
XLogP15.39
TPSA303.18 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001409.68
LogP ≤ 515.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-benzoylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 158088571
N-(3-cyanophenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[3-methoxy-5-(trifluoromethyl)phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 161784035
3-(isoquinolin-4-ylmethoxy)-N-[3-(2-methoxyethoxy)phenyl]benzamide;3-(isoquinolin-4-ylmethoxy)-N-(3,4,5-trimethoxyphenyl)benzamide;N-(8-prop-2-ynylnaphthalen-2-yl)-3-(1H-pyrazolo[3,4-c]pyridin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 157787209
N-(2-methoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-methyl-4-propan-2-ylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 158318071
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3,4-dimethoxyphenyl)benzamide;N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 159174624
N-(3-benzylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(9-ethylcarbazol-3-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 159297320
N-[4-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9-ethylcarbazol-3-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-propan-2-yloxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 159666327
N-(2,3-dihydro-1H-inden-5-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4,6-dimethyl-2-pyridinyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[(2-methoxyphenyl)methyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide
CID 159979549
N-(3-cyanophenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(4-phenylmethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 161197794
N-(3,5-ditert-butylphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-[4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 161248440

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide (CID 160664958) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(CSc4cnccn4)c3)cc2)n1.O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(CSc2ncnc3[nH]ncc23)c1.O=C(Nc1cccc(Oc2ccccc2)c1)c1cccc(CSc2ncnc3[nH]ncc23)c1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
The InChIKey is RMDZEJIERXIKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5OS.C25H19N5O2S.C24H22N6O3S2/c32-25(30-20-8-9-22-19(12-20)11-17-5-1-2-7-21(17)22)18-6-3-4-16(10-18)14-33-26-23-13-29-31-24(23)27-15-28-26;31-24(29-19-8-5-11-21(13-19)32-20-9-2-1-3-10-20)18-7-4-6-17(12-18)15-33-25-22-14-28-30-23(22)26-16-27-25;1-16-12-17(2)28-24(27-16)30-35(32,33)21-8-6-20(7-9-21)29-23(31)19-5-3-4-18(13-19)15-34-22-14-25-10-11-26-22/h1-10,12-13,15H,11,14H2,(H,30,32)(H,27,28,29,31);1-14,16H,15H2,(H,29,31)(H,26,27,28,30);3-14H,15H2,1-2H3,(H,29,31)(H,27,28,30).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide has a molecular weight of 1409.68 g/mol, XLogP of 15.39, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide;N-(3-phenoxyphenyl)-3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 160664958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).