N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C16H16N2O2S — CID 51049245

IUPACN-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChIInChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZQZRVLFBPXQREF-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.64
Rot. Bonds4

About N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 51049245) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID51049245
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChIInChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyZQZRVLFBPXQREF-UHFFFAOYSA-N
XLogP3.64
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide 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-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 51049245) is N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COCc1cccc(NC(=O)c2cc3sccc3n2C)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZQZRVLFBPXQREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 51049245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).