N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C19H16N4O3S3 — CID 52931834

IUPACN-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)s1
InChIInChI=1S/C19H16N4O3S3/c1-11(24)15-6-7-17(28-15)21-19-20-9-16-18(22-19)14(10-27-16)12-4-3-5-13(8-12)23-29(2,25)26/h3-10,23H,1-2H3,(H,20,21,22)
InChIKeySAGQCKLCNSMBJI-UHFFFAOYSA-N
MW444.56 g/mol
LogP4.74
Rot. Bonds6

About N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 52931834) has the molecular formula C19H16N4O3S3 and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID52931834
Molecular FormulaC19H16N4O3S3
Molecular Weight444.56 g/mol
Exact Mass444.04
IUPAC NameN-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)s1
InChIInChI=1S/C19H16N4O3S3/c1-11(24)15-6-7-17(28-15)21-19-20-9-16-18(22-19)14(10-27-16)12-4-3-5-13(8-12)23-29(2,25)26/h3-10,23H,1-2H3,(H,20,21,22)
InChIKeySAGQCKLCNSMBJI-UHFFFAOYSA-N
XLogP4.74
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 52931834) is N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is CC(=O)c1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)s1.
What is the InChIKey of N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is SAGQCKLCNSMBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S3/c1-11(24)15-6-7-17(28-15)21-19-20-9-16-18(22-19)14(10-27-16)12-4-3-5-13(8-12)23-29(2,25)26/h3-10,23H,1-2H3,(H,20,21,22).
What are the key properties of N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 444.56 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5-acetylthiophen-2-yl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 52931834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).