N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide

C21H20N2O4S — CID 78839112

IUPACN-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)14(11-17)12-20(24)22-15-5-3-6-16(13-15)23-21(25)19-7-4-10-28-19/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVCZSOKMMGLDGCS-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.20
Rot. Bonds7

About N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 78839112) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID78839112
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOc1ccc(OC)c(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)14(11-17)12-20(24)22-15-5-3-6-16(13-15)23-21(25)19-7-4-10-28-19/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVCZSOKMMGLDGCS-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-[(2,5-dimethoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33102267
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398
methyl 3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzoate
CID 110766971
N-[3-[3-(3-bromo-4-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 46568166
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966
N-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31520800
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
[4-(thiophene-2-carbonylamino)phenyl] 2-(2,4-dimethoxyphenyl)acetate
CID 39768822
2-(2,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)acetamide
CID 78804402
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 78839112) is N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide is COc1ccc(OC)c(CC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is VCZSOKMMGLDGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-17-8-9-18(27-2)14(11-17)12-20(24)22-15-5-3-6-16(13-15)23-21(25)19-7-4-10-28-19/h3-11,13H,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 78839112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).