N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C22H22N6O3S2 — CID 52931723

IUPACN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C22H22N6O3S2/c1-33(29,30)27-16-4-2-3-15(11-16)18-14-32-19-13-24-22(26-21(18)19)25-17-5-6-20(23-12-17)28-7-9-31-10-8-28/h2-6,11-14,27H,7-10H2,1H3,(H,24,25,26)
InChIKeyUCAOYEIPJQEJRS-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.70
Rot. Bonds6

About N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 52931723) has the molecular formula C22H22N6O3S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID52931723
Molecular FormulaC22H22N6O3S2
Molecular Weight482.59 g/mol
Exact Mass482.12
IUPAC NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C22H22N6O3S2/c1-33(29,30)27-16-4-2-3-15(11-16)18-14-32-19-13-24-22(26-21(18)19)25-17-5-6-20(23-12-17)28-7-9-31-10-8-28/h2-6,11-14,27H,7-10H2,1H3,(H,24,25,26)
InChIKeyUCAOYEIPJQEJRS-UHFFFAOYSA-N
XLogP3.70
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 52931723) is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.
What is the InChIKey of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is UCAOYEIPJQEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S2/c1-33(29,30)27-16-4-2-3-15(11-16)18-14-32-19-13-24-22(26-21(18)19)25-17-5-6-20(23-12-17)28-7-9-31-10-8-28/h2-6,11-14,27H,7-10H2,1H3,(H,24,25,26).
What are the key properties of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 482.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 52931723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).