1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone

C24H20N2O3S — CID 14268896

IUPAC1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1
InChIInChI=1S/C24H20N2O3S/c1-13-18(14(2)27)19(15-9-11-17(29-3)12-10-15)20-21(25)23(30-24(20)26-13)22(28)16-7-5-4-6-8-16/h4-12H,25H2,1-3H3
InChIKeyFZGWPGNRTJIIBA-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.30
Rot. Bonds5

About 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone

1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone (PubChem CID 14268896) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
PubChem CID14268896
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone
SMILESCOc1ccc(-c2c(C(C)=O)c(C)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1
InChIInChI=1S/C24H20N2O3S/c1-13-18(14(2)27)19(15-9-11-17(29-3)12-10-15)20-21(25)23(30-24(20)26-13)22(28)16-7-5-4-6-8-16/h4-12H,25H2,1-3H3
InChIKeyFZGWPGNRTJIIBA-UHFFFAOYSA-N
XLogP5.30
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
methyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469290
1-[3-amino-2-benzoyl-6-methyl-4-(2-phenylethenyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 171136616
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone;1-(2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridin-5-yl)ethanone
CID 157425406
4-(5-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-2-carbonyl)-3-(4-methylphenyl)oxadiazol-3-ium-5-olate
CID 137259009
14-amino-13-(4-bromobenzoyl)-16-(4-methoxyphenyl)-12-thia-10-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaen-8-one
CID 3376116
13-acetyl-14-amino-16-(4-methoxyphenyl)-12-thia-10-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaen-8-one
CID 1022255
3-amino-4-(furan-2-yl)-2-(4-methoxybenzoyl)-N-(2-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxamide
CID 2101794
ethyl 3-amino-2-(4-chlorobenzoyl)-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 11443302
1-[4-(4-methoxyphenyl)-2-methylquinolin-3-yl]ethanone
CID 672266
methyl 3-amino-2-(2,4-dimethoxybenzoyl)-4-(3,4-dimethoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716252
4-[5-acetyl-3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carbonyl]-3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
CID 53297320

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone (CID 14268896) is 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone is COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1.
What is the InChIKey of 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
The InChIKey is FZGWPGNRTJIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c1-13-18(14(2)27)19(15-9-11-17(29-3)12-10-15)20-21(25)23(30-24(20)26-13)22(28)16-7-5-4-6-8-16/h4-12H,25H2,1-3H3.
What are the key properties of 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone?
1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone has a molecular weight of 416.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-benzoyl-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 14268896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).