4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

C16H13BrN2O2S — CID 18516240

IUPAC4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-19(2)16(20)14-7-12-13(8-18-9-15(12)22-14)21-11-5-3-10(17)4-6-11/h3-9H,1-2H3
InChIKeySDNLWHUXNBYFQA-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.55
Rot. Bonds3

About 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide

4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (PubChem CID 18516240) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
PubChem CID18516240
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1
InChIInChI=1S/C16H13BrN2O2S/c1-19(2)16(20)14-7-12-13(8-18-9-15(12)22-14)21-11-5-3-10(17)4-6-11/h3-9H,1-2H3
InChIKeySDNLWHUXNBYFQA-UHFFFAOYSA-N
XLogP4.55
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (E)-3-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]prop-2-enoate
CID 18516199
4-[4-(methoxymethyl)phenoxy]thieno[2,3-c]pyridine-2-carboxylic acid
CID 11109843
4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzenediazonium
CID 11069022
ethyl 4-(2-carbamoylthieno[2,3-c]pyridin-4-yl)oxybenzoate
CID 10154441
4-(4-bromo-N-methylanilino)thieno[2,3-c]pyridine-2-carboxamide
CID 58622460
methyl 4-[4-(oxoboranylmethylamino)phenoxy]thieno[2,3-c]pyridine-2-carboxylate
CID 20594279
4-pyridin-3-yloxythieno[2,3-c]pyridine-2-carboxamide
CID 18516131
4-[4-(1,1-difluoro-2-hydroxyethyl)phenoxy]-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 10155661
5-[4-(4-bromophenoxy)thieno[2,3-c]pyridin-2-yl]-1,3,4-oxadiazol-2-amine
CID 10157139
4-(4-bromophenoxy)-5-chlorothieno[2,3-c]pyridine-2-carboxamide
CID 10156827
4-(3-ethoxycarbonylphenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
CID 11121450
N,N-dimethylthieno[3,2-d]pyrimidine-6-carboxamide
CID 137354007

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide (CID 18516240) is 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)c1cc2c(Oc3ccc(Br)cc3)cncc2s1.
What is the InChIKey of 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SDNLWHUXNBYFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-19(2)16(20)14-7-12-13(8-18-9-15(12)22-14)21-11-5-3-10(17)4-6-11/h3-9H,1-2H3.
What are the key properties of 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide?
4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N,N-dimethylthieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 18516240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).