2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide

C16H17N3O5S2 — CID 167775688

IUPAC2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C16H17N3O5S2/c1-19(9-14-17-11-6-7-25-15(11)16(20)18-14)26(21,22)13-5-4-10(23-2)8-12(13)24-3/h4-8H,9H2,1-3H3,(H,17,18,20)
InChIKeySHMUOTQCPJXBFN-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.82
Rot. Bonds6

About 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide

2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 167775688) has the molecular formula C16H17N3O5S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID167775688
Molecular FormulaC16H17N3O5S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(OC)c1
InChIInChI=1S/C16H17N3O5S2/c1-19(9-14-17-11-6-7-25-15(11)16(20)18-14)26(21,22)13-5-4-10(23-2)8-12(13)24-3/h4-8H,9H2,1-3H3,(H,17,18,20)
InChIKeySHMUOTQCPJXBFN-UHFFFAOYSA-N
XLogP1.82
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide (CID 167775688) is 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is SHMUOTQCPJXBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S2/c1-19(9-14-17-11-6-7-25-15(11)16(20)18-14)26(21,22)13-5-4-10(23-2)8-12(13)24-3/h4-8H,9H2,1-3H3,(H,17,18,20).
What are the key properties of 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide?
2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 167775688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).