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

C20H24N6O4S2 — CID 137429461

IUPACN-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C20H24N6O4S2/c1-21-32(28,29)12-4-7-23-19(27)14-13-31-20-16(14)18(26-8-10-30-11-9-26)24-17(25-20)15-5-2-3-6-22-15/h2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27)
InChIKeyUKTHZYOYFQRZAX-UHFFFAOYSA-N
MW476.58 g/mol
LogP1.26
Rot. Bonds8

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

N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 137429461) has the molecular formula C20H24N6O4S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID137429461
Molecular FormulaC20H24N6O4S2
Molecular Weight476.58 g/mol
Exact Mass476.13
IUPAC NameN-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12
InChIInChI=1S/C20H24N6O4S2/c1-21-32(28,29)12-4-7-23-19(27)14-13-31-20-16(14)18(26-8-10-30-11-9-26)24-17(25-20)15-5-2-3-6-22-15/h2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27)
InChIKeyUKTHZYOYFQRZAX-UHFFFAOYSA-N
XLogP1.26
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide (CID 137429461) is 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-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is CNS(=O)(=O)CCCNC(=O)c1csc2nc(-c3ccccn3)nc(N3CCOCC3)c12.
What is the InChIKey of N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is UKTHZYOYFQRZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O4S2/c1-21-32(28,29)12-4-7-23-19(27)14-13-31-20-16(14)18(26-8-10-30-11-9-26)24-17(25-20)15-5-2-3-6-22-15/h2-3,5-6,13,21H,4,7-12H2,1H3,(H,23,27).
What are the key properties of N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide?
N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylsulfamoyl)propyl]-4-morpholin-4-yl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 137429461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).