N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide

C18H20BrN5O4S2 — CID 122427954

IUPACN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cnc1OC
InChIInChI=1S/C18H20BrN5O4S2/c1-3-30(25,26)23-13-8-11(9-20-17(13)27-2)14-16-15(12(19)10-29-16)22-18(21-14)24-4-6-28-7-5-24/h8-10,23H,3-7H2,1-2H3
InChIKeyLDXWFJCNHSJRHK-UHFFFAOYSA-N
MW514.43 g/mol
LogP3.12
Rot. Bonds6

About N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide

N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide (PubChem CID 122427954) has the molecular formula C18H20BrN5O4S2 and a molecular weight of 514.43 g/mol. Its IUPAC name is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
PubChem CID122427954
Molecular FormulaC18H20BrN5O4S2
Molecular Weight514.43 g/mol
Exact Mass513.01
IUPAC NameN-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cnc1OC
InChIInChI=1S/C18H20BrN5O4S2/c1-3-30(25,26)23-13-8-11(9-20-17(13)27-2)14-16-15(12(19)10-29-16)22-18(21-14)24-4-6-28-7-5-24/h8-10,23H,3-7H2,1-2H3
InChIKeyLDXWFJCNHSJRHK-UHFFFAOYSA-N
XLogP3.12
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide (CID 122427954) is N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2nc(N3CCOCC3)nc3c(Br)csc23)cnc1OC.
What is the InChIKey of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
The InChIKey is LDXWFJCNHSJRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN5O4S2/c1-3-30(25,26)23-13-8-11(9-20-17(13)27-2)14-16-15(12(19)10-29-16)22-18(21-14)24-4-6-28-7-5-24/h8-10,23H,3-7H2,1-2H3.
What are the key properties of N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide?
N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide has a molecular weight of 514.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-2-methoxy-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 122427954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).