N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

C24H24N2O3S — CID 46039236

IUPACN-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2sccc2n1CCOc1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-28-22-10-6-5-7-18(22)11-13-25-24(27)21-17-23-20(12-16-30-23)26(21)14-15-29-19-8-3-2-4-9-19/h2-10,12,16-17H,11,13-15H2,1H3,(H,25,27)
InChIKeyZBYPWVOLSXQMML-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.76
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039236) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039236
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cc2sccc2n1CCOc1ccccc1
InChIInChI=1S/C24H24N2O3S/c1-28-22-10-6-5-7-18(22)11-13-25-24(27)21-17-23-20(12-16-30-23)26(21)14-15-29-19-8-3-2-4-9-19/h2-10,12,16-17H,11,13-15H2,1H3,(H,25,27)
InChIKeyZBYPWVOLSXQMML-UHFFFAOYSA-N
XLogP4.76
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039232
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
4-(cyclobutylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46156458
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039236) is N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is COc1ccccc1CCNC(=O)c1cc2sccc2n1CCOc1ccccc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZBYPWVOLSXQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-28-22-10-6-5-7-18(22)11-13-25-24(27)21-17-23-20(12-16-30-23)26(21)14-15-29-19-8-3-2-4-9-19/h2-10,12,16-17H,11,13-15H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-4-(2-phenoxyethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).