3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C25H22ClN3O2S — CID 4916510

IUPAC3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(C)Cc3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C25H22ClN3O2S/c1-15-19-21(28-23(30)18-12-8-5-9-13-18)22(32-24(19)27-16(2)20(15)26)25(31)29(3)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3,(H,28,30)
InChIKeyWLXXKRWUSLTTMK-UHFFFAOYSA-N
MW463.99 g/mol
LogP6.09
Rot. Bonds5

About 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 4916510) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID4916510
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)N(C)Cc3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl
InChIInChI=1S/C25H22ClN3O2S/c1-15-19-21(28-23(30)18-12-8-5-9-13-18)22(32-24(19)27-16(2)20(15)26)25(31)29(3)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3,(H,28,30)
InChIKeyWLXXKRWUSLTTMK-UHFFFAOYSA-N
XLogP6.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 4916510) is 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)N(C)Cc3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl.
What is the InChIKey of 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WLXXKRWUSLTTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-15-19-21(28-23(30)18-12-8-5-9-13-18)22(32-24(19)27-16(2)20(15)26)25(31)29(3)14-17-10-6-4-7-11-17/h4-13H,14H2,1-3H3,(H,28,30).
What are the key properties of 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-benzyl-5-chloro-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 4916510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).