N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide

C23H18N6O2S — CID 44580107

IUPACN,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyFEEXBZJKUGASDW-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.64
Rot. Bonds5

About N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide

N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide (PubChem CID 44580107) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
PubChem CID44580107
Molecular FormulaC23H18N6O2S
Molecular Weight442.50 g/mol
Exact Mass442.12
IUPAC NameN,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1
InChIInChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyFEEXBZJKUGASDW-UHFFFAOYSA-N
XLogP4.64
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide (CID 44580107) is N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide is CN(C)C(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nn[nH]n5)cc34)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
The InChIKey is FEEXBZJKUGASDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-29(2)23(30)16-5-3-14(4-6-16)15-7-9-17(10-8-15)31-19-12-24-13-21-18(19)11-20(32-21)22-25-27-28-26-22/h3-13H,1-2H3,(H,25,26,27,28).
What are the key properties of N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide?
N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide has a molecular weight of 442.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[2-(2H-tetrazol-5-yl)thieno[2,3-c]pyridin-4-yl]oxyphenyl]benzamide is sourced from PubChem (CID 44580107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).