N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide

C22H15ClN2O3S — CID 67532779

IUPACN-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(ccc(=O)n2-c2ccccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C22H15ClN2O3S/c1-13(26)24-21-19(20(28)14-7-3-2-4-8-14)15-11-12-18(27)25(22(15)29-21)17-10-6-5-9-16(17)23/h2-12H,1H3,(H,24,26)
InChIKeyLWYASYJQYUWEKI-UHFFFAOYSA-N
MW422.89 g/mol
LogP4.89
Rot. Bonds4

About N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide

N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide (PubChem CID 67532779) has the molecular formula C22H15ClN2O3S and a molecular weight of 422.89 g/mol. Its IUPAC name is N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide
PubChem CID67532779
Molecular FormulaC22H15ClN2O3S
Molecular Weight422.89 g/mol
Exact Mass422.05
IUPAC NameN-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(ccc(=O)n2-c2ccccc2Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C22H15ClN2O3S/c1-13(26)24-21-19(20(28)14-7-3-2-4-8-14)15-11-12-18(27)25(22(15)29-21)17-10-6-5-9-16(17)23/h2-12H,1H3,(H,24,26)
InChIKeyLWYASYJQYUWEKI-UHFFFAOYSA-N
XLogP4.89
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
CID 67531475
(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 67533726
3-benzoyl-2-[(1-methylazetidin-3-yl)amino]-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67532449
3-[[3-benzoyl-7-(4-methylphenyl)-6-oxothieno[2,3-b]pyridin-2-yl]amino]azetidine-1-carboxylic acid
CID 67532815
(3R)-3-[(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)carbamoylamino]-2-tert-butylpyrrolidine-1-carboxylic acid
CID 67533507
2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67531139
N-(3-benzoylthieno[2,3-c]pyridin-2-yl)acetamide
CID 71423060
2-amino-3-(4-methylbenzoyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67533006
3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one
CID 67532498
[1-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)azetidin-3-yl]-tert-butylcarbamic acid
CID 67533187
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67532747
3-benzoyl-7-(6-chloro-3-pyridinyl)-2-nitrothieno[2,3-b]pyridin-6-one
CID 87434955

Frequently Asked Questions

What is the IUPAC name of N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide?
The IUPAC name of N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide (CID 67532779) is N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide?
The canonical SMILES for N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide is CC(=O)Nc1sc2c(ccc(=O)n2-c2ccccc2Cl)c1C(=O)c1ccccc1.
What is the InChIKey of N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide?
The InChIKey is LWYASYJQYUWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3S/c1-13(26)24-21-19(20(28)14-7-3-2-4-8-14)15-11-12-18(27)25(22(15)29-21)17-10-6-5-9-16(17)23/h2-12H,1H3,(H,24,26).
What are the key properties of N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide?
N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide has a molecular weight of 422.89 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-7-(2-chlorophenyl)-6-oxothieno[2,3-b]pyridin-2-yl]acetamide is sourced from PubChem (CID 67532779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).