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

C23H24N6O3S2 — CID 52932013

IUPACN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C23H24N6O3S2/c1-2-34(30,31)28-17-5-3-4-16(12-17)19-15-33-20-14-25-23(27-22(19)20)26-18-6-7-21(24-13-18)29-8-10-32-11-9-29/h3-7,12-15,28H,2,8-11H2,1H3,(H,25,26,27)
InChIKeyBFOVZPAZPINDSH-UHFFFAOYSA-N
MW496.62 g/mol
LogP4.10
Rot. Bonds7

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

N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide (PubChem CID 52932013) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide
PubChem CID52932013
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC NameN-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C23H24N6O3S2/c1-2-34(30,31)28-17-5-3-4-16(12-17)19-15-33-20-14-25-23(27-22(19)20)26-18-6-7-21(24-13-18)29-8-10-32-11-9-29/h3-7,12-15,28H,2,8-11H2,1H3,(H,25,26,27)
InChIKeyBFOVZPAZPINDSH-UHFFFAOYSA-N
XLogP4.10
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 54.10
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]ethanesulfonamide?
The IUPAC name of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide (CID 52932013) is N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is BFOVZPAZPINDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c1-2-34(30,31)28-17-5-3-4-16(12-17)19-15-33-20-14-25-23(27-22(19)20)26-18-6-7-21(24-13-18)29-8-10-32-11-9-29/h3-7,12-15,28H,2,8-11H2,1H3,(H,25,26,27).
What are the key properties of N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide?
N-[3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]ethanesulfonamide has a molecular weight of 496.62 g/mol, XLogP of 4.10, 7 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]ethanesulfonamide is sourced from PubChem (CID 52932013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).