N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

C23H18N4O3S3 — CID 164627711

IUPACN-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2sc3c(-c4cccs4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N4O3S3/c1-14-19-22(20(26-13-25-19)18-9-6-10-31-18)32-21(14)15-11-17(23(30-2)24-12-15)27-33(28,29)16-7-4-3-5-8-16/h3-13,27H,1-2H3
InChIKeyPENYKQOAELQWRK-UHFFFAOYSA-N
MW494.62 g/mol
LogP5.60
Rot. Bonds6

About N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 164627711) has the molecular formula C23H18N4O3S3 and a molecular weight of 494.62 g/mol. Its IUPAC name is N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID164627711
Molecular FormulaC23H18N4O3S3
Molecular Weight494.62 g/mol
Exact Mass494.05
IUPAC NameN-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2sc3c(-c4cccs4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N4O3S3/c1-14-19-22(20(26-13-25-19)18-9-6-10-31-18)32-21(14)15-11-17(23(30-2)24-12-15)27-33(28,29)16-7-4-3-5-8-16/h3-13,27H,1-2H3
InChIKeyPENYKQOAELQWRK-UHFFFAOYSA-N
XLogP5.60
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.62
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 164627711) is N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2sc3c(-c4cccs4)ncnc3c2C)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is PENYKQOAELQWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S3/c1-14-19-22(20(26-13-25-19)18-9-6-10-31-18)32-21(14)15-11-17(23(30-2)24-12-15)27-33(28,29)16-7-4-3-5-8-16/h3-13,27H,1-2H3.
What are the key properties of N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 494.62 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(7-methyl-4-thiophen-2-ylthieno[3,2-d]pyrimidin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164627711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).