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

C16H16N2O3S — CID 649345

IUPACN-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1
InChIInChI=1S/C16H16N2O3S/c1-18-13-4-5-22-15(13)9-14(18)16(19)17-10-6-11(20-2)8-12(7-10)21-3/h4-9H,1-3H3,(H,17,19)
InChIKeyINMDLCIVIMPGRT-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.51
Rot. Bonds4

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

N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 649345) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID649345
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1
InChIInChI=1S/C16H16N2O3S/c1-18-13-4-5-22-15(13)9-14(18)16(19)17-10-6-11(20-2)8-12(7-10)21-3/h4-9H,1-3H3,(H,17,19)
InChIKeyINMDLCIVIMPGRT-UHFFFAOYSA-N
XLogP3.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 649345) is N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is INMDLCIVIMPGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-18-13-4-5-22-15(13)9-14(18)16(19)17-10-6-11(20-2)8-12(7-10)21-3/h4-9H,1-3H3,(H,17,19).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 649345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).