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

C17H18N2O2S — CID 145027417

IUPACN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyFOBDOBGKKILBFA-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.95
Rot. Bonds4

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

N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 145027417) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID145027417
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1C
InChIInChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20)
InChIKeyFOBDOBGKKILBFA-UHFFFAOYSA-N
XLogP3.95
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(methoxymethyl)-2-methylphenyl]-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)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 145027417) is N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COCc1cccc(NC(=O)c2cc3sccc3n2C)c1C.
What is the InChIKey of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is FOBDOBGKKILBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-12(10-21-3)5-4-6-13(11)18-17(20)15-9-16-14(19(15)2)7-8-22-16/h4-9H,10H2,1-3H3,(H,18,20).
What are the key properties of N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxymethyl)-2-methylphenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 145027417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).