N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

C21H26N6O4S2 — CID 146396069

IUPACN-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C21H26N6O4S2/c1-22-33(29,30)13-5-8-26(2)21(28)15-14-32-20-17(15)19(27-9-11-31-12-10-27)24-18(25-20)16-6-3-4-7-23-16/h3-4,6-7,14,22H,5,8-13H2,1-2H3
InChIKeyIFOMCVMJONFTEB-UHFFFAOYSA-N
MW490.61 g/mol
LogP1.60
Rot. Bonds8

About N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide

N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 146396069) has the molecular formula C21H26N6O4S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID146396069
Molecular FormulaC21H26N6O4S2
Molecular Weight490.61 g/mol
Exact Mass490.15
IUPAC NameN-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C21H26N6O4S2/c1-22-33(29,30)13-5-8-26(2)21(28)15-14-32-20-17(15)19(27-9-11-31-12-10-27)24-18(25-20)16-6-3-4-7-23-16/h3-4,6-7,14,22H,5,8-13H2,1-2H3
InChIKeyIFOMCVMJONFTEB-UHFFFAOYSA-N
XLogP1.60
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 146396069) is N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CNS(=O)(=O)CCCN(C)C(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is IFOMCVMJONFTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S2/c1-22-33(29,30)13-5-8-26(2)21(28)15-14-32-20-17(15)19(27-9-11-31-12-10-27)24-18(25-20)16-6-3-4-7-23-16/h3-4,6-7,14,22H,5,8-13H2,1-2H3.
What are the key properties of N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 146396069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).