N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone

C57H49F2N7O11S3 — CID 161195803

IUPACN-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(-c2csc(N)c2C(C)=O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(C)=O)cn1.COc1ccc(C(C)=O)cn1
InChIInChI=1S/C19H15FN2O3S.C18H13FN2O4S.C12H12N2O2S.C8H9NO2/c1-11(23)17-15(13-6-7-16(25-2)21-9-13)10-26-19(17)22-18(24)12-4-3-5-14(20)8-12;1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-7(15)11-9(6-17-12(11)13)8-3-4-10(16-2)14-5-8;1-6(10)7-3-4-8(11-2)9-5-7/h3-10H,1-2H3,(H,22,24);2-9H,1H3,(H,21,22)(H,23,24);3-6H,13H2,1-2H3;3-5H,1-2H3
InChIKeyUUIBXFDNBCURQE-UHFFFAOYSA-N
MW1142.25 g/mol
LogP12.22
Rot. Bonds15

About N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone

N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone (PubChem CID 161195803) has the molecular formula C57H49F2N7O11S3 and a molecular weight of 1142.25 g/mol. Its IUPAC name is N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound NameN-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone
PubChem CID161195803
Molecular FormulaC57H49F2N7O11S3
Molecular Weight1142.25 g/mol
Exact Mass1141.26
IUPAC NameN-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone
SMILESCOc1ccc(-c2csc(N)c2C(C)=O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(C)=O)cn1.COc1ccc(C(C)=O)cn1
InChIInChI=1S/C19H15FN2O3S.C18H13FN2O4S.C12H12N2O2S.C8H9NO2/c1-11(23)17-15(13-6-7-16(25-2)21-9-13)10-26-19(17)22-18(24)12-4-3-5-14(20)8-12;1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-7(15)11-9(6-17-12(11)13)8-3-4-10(16-2)14-5-8;1-6(10)7-3-4-8(11-2)9-5-7/h3-10H,1-2H3,(H,22,24);2-9H,1H3,(H,21,22)(H,23,24);3-6H,13H2,1-2H3;3-5H,1-2H3
InChIKeyUUIBXFDNBCURQE-UHFFFAOYSA-N
XLogP12.22
TPSA261.21 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001142.25
LogP ≤ 512.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone?
The IUPAC name of N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone (CID 161195803) is N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone.
What is the SMILES notation for N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone?
The canonical SMILES for N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone is COc1ccc(-c2csc(N)c2C(C)=O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(=O)O)cn1.COc1ccc(-c2csc(NC(=O)c3cccc(F)c3)c2C(C)=O)cn1.COc1ccc(C(C)=O)cn1.
What is the InChIKey of N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone?
The InChIKey is UUIBXFDNBCURQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S.C18H13FN2O4S.C12H12N2O2S.C8H9NO2/c1-11(23)17-15(13-6-7-16(25-2)21-9-13)10-26-19(17)22-18(24)12-4-3-5-14(20)8-12;1-25-14-6-5-11(8-20-14)13-9-26-17(15(13)18(23)24)21-16(22)10-3-2-4-12(19)7-10;1-7(15)11-9(6-17-12(11)13)8-3-4-10(16-2)14-5-8;1-6(10)7-3-4-8(11-2)9-5-7/h3-10H,1-2H3,(H,22,24);2-9H,1H3,(H,21,22)(H,23,24);3-6H,13H2,1-2H3;3-5H,1-2H3.
What are the key properties of N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone?
N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone has a molecular weight of 1142.25 g/mol, XLogP of 12.22, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-(6-methoxy-3-pyridinyl)thiophen-2-yl]-3-fluorobenzamide;1-[2-amino-4-(6-methoxy-3-pyridinyl)thiophen-3-yl]ethanone;2-[(3-fluorobenzoyl)amino]-4-(6-methoxy-3-pyridinyl)thiophene-3-carboxylic acid;1-(6-methoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 161195803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).