N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C24H24N4O4S2 — CID 55338227

IUPACN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1sc2ncn(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C24H24N4O4S2/c1-15(2)27(4)34(31,32)19-12-8-11-18(13-19)22(29)26-28-14-25-23-21(24(28)30)20(16(3)33-23)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,26,29)
InChIKeyQHOCPFXEDVHLCS-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.85
Rot. Bonds6

About N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 55338227) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID55338227
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC NameN-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCc1sc2ncn(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C24H24N4O4S2/c1-15(2)27(4)34(31,32)19-12-8-11-18(13-19)22(29)26-28-14-25-23-21(24(28)30)20(16(3)33-23)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,26,29)
InChIKeyQHOCPFXEDVHLCS-UHFFFAOYSA-N
XLogP3.85
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 55338227) is N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is Cc1sc2ncn(NC(=O)c3cccc(S(=O)(=O)N(C)C(C)C)c3)c(=O)c2c1-c1ccccc1.
What is the InChIKey of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is QHOCPFXEDVHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-15(2)27(4)34(31,32)19-12-8-11-18(13-19)22(29)26-28-14-25-23-21(24(28)30)20(16(3)33-23)17-9-6-5-7-10-17/h5-15H,1-4H3,(H,26,29).
What are the key properties of N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 496.61 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 55338227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).