N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide

C27H25N5O5S — CID 69002151

IUPACN-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1c(OCCN2C(=O)CNC2=O)ccc(/C=C/c2n[nH]c3ccccc23)c1NC(=O)c1sccc1C
InChIInChI=1S/C27H25N5O5S/c1-16-11-14-38-25(16)26(34)29-23-17(7-9-20-18-5-3-4-6-19(18)30-31-20)8-10-21(24(23)36-2)37-13-12-32-22(33)15-28-27(32)35/h3-11,14H,12-13,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31)/b9-7+
InChIKeyMAFMNELACXWQIY-VQHVLOKHSA-N
MW531.59 g/mol
LogP4.29
Rot. Bonds9

About N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide

N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 69002151) has the molecular formula C27H25N5O5S and a molecular weight of 531.59 g/mol. Its IUPAC name is N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
PubChem CID69002151
Molecular FormulaC27H25N5O5S
Molecular Weight531.59 g/mol
Exact Mass531.16
IUPAC NameN-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1c(OCCN2C(=O)CNC2=O)ccc(/C=C/c2n[nH]c3ccccc23)c1NC(=O)c1sccc1C
InChIInChI=1S/C27H25N5O5S/c1-16-11-14-38-25(16)26(34)29-23-17(7-9-20-18-5-3-4-6-19(18)30-31-20)8-10-21(24(23)36-2)37-13-12-32-22(33)15-28-27(32)35/h3-11,14H,12-13,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31)/b9-7+
InChIKeyMAFMNELACXWQIY-VQHVLOKHSA-N
XLogP4.29
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide (CID 69002151) is N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide is COc1c(OCCN2C(=O)CNC2=O)ccc(/C=C/c2n[nH]c3ccccc23)c1NC(=O)c1sccc1C.
What is the InChIKey of N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is MAFMNELACXWQIY-VQHVLOKHSA-N. The full InChI is InChI=1S/C27H25N5O5S/c1-16-11-14-38-25(16)26(34)29-23-17(7-9-20-18-5-3-4-6-19(18)30-31-20)8-10-21(24(23)36-2)37-13-12-32-22(33)15-28-27(32)35/h3-11,14H,12-13,15H2,1-2H3,(H,28,35)(H,29,34)(H,30,31)/b9-7+.
What are the key properties of N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide?
N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 531.59 g/mol, XLogP of 4.29, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2,5-dioxoimidazolidin-1-yl)ethoxy]-6-[(E)-2-(1H-indazol-3-yl)ethenyl]-2-methoxyphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 69002151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).