2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide

C18H19BrN2O2S — CID 46052279

IUPAC2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC
InChIInChI=1S/C18H19BrN2O2S/c1-4-20(2)18(22)14-9-16-13(10-17(19)24-16)21(14)11-12-7-5-6-8-15(12)23-3/h5-10H,4,11H2,1-3H3
InChIKeyIKNSPAYZASRITM-UHFFFAOYSA-N
MW407.33 g/mol
LogP4.61
Rot. Bonds5

About 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide

2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46052279) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46052279
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC
InChIInChI=1S/C18H19BrN2O2S/c1-4-20(2)18(22)14-9-16-13(10-17(19)24-16)21(14)11-12-7-5-6-8-15(12)23-3/h5-10H,4,11H2,1-3H3
InChIKeyIKNSPAYZASRITM-UHFFFAOYSA-N
XLogP4.61
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848744
4-[(2-methoxyphenyl)methyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327476
N-benzyl-4-[(2-fluorophenyl)methyl]-N,2-dimethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039387
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
3-bromo-4-[(2-methoxyphenyl)methyl]-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 46040537
4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
N-benzyl-2-bromo-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289653
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
2-bromo-4-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848786
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
methyl 4-[(2-chlorophenyl)methyl]-2-ethylthieno[3,2-b]pyrrole-5-carboxylate
CID 20883381

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 46052279) is 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide is CCN(C)C(=O)c1cc2sc(Br)cc2n1Cc1ccccc1OC.
What is the InChIKey of 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is IKNSPAYZASRITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c1-4-20(2)18(22)14-9-16-13(10-17(19)24-16)21(14)11-12-7-5-6-8-15(12)23-3/h5-10H,4,11H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 407.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-[(2-methoxyphenyl)methyl]-N-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46052279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).