N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

C19H23N3O3S — CID 53139870

IUPACN-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c1
InChIInChI=1S/C19H23N3O3S/c1-11-8-15-18(26-11)13(10-22(2)3)17(20-15)19(23)21-14-9-12(24-4)6-7-16(14)25-5/h6-9,20H,10H2,1-5H3,(H,21,23)
InChIKeyHVTXLOLBEDPHKY-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.87
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139870) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139870
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c1
InChIInChI=1S/C19H23N3O3S/c1-11-8-15-18(26-11)13(10-22(2)3)17(20-15)19(23)21-14-9-12(24-4)6-7-16(14)25-5/h6-9,20H,10H2,1-5H3,(H,21,23)
InChIKeyHVTXLOLBEDPHKY-UHFFFAOYSA-N
XLogP3.87
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide with MolForge

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Related Compounds

6-[(dimethylamino)methyl]-N-(4-methoxy-2-methylphenyl)-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139911
N-[(3,4-dimethoxyphenyl)methyl]-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139908
N-(2-chloro-4-methylphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139853
N-(2,5-dimethoxyphenyl)-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20855954
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
N-(2,5-dimethoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110762508
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918722
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134032979

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139870) is N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2[nH]c3cc(C)sc3c2CN(C)C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HVTXLOLBEDPHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-11-8-15-18(26-11)13(10-22(2)3)17(20-15)19(23)21-14-9-12(24-4)6-7-16(14)25-5/h6-9,20H,10H2,1-5H3,(H,21,23).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).