2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C20H20F3N3O2S — CID 170721646

IUPAC2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3C(F)(F)F)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H20F3N3O2S/c1-12-10-16-18(29-12)13(11-26-6-8-28-9-7-26)17(24-16)19(27)25-15-5-3-2-4-14(15)20(21,22)23/h2-5,10,24H,6-9,11H2,1H3,(H,25,27)
InChIKeyHBJKGCNJTUVBAJ-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.64
Rot. Bonds4

About 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 170721646) has the molecular formula C20H20F3N3O2S and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID170721646
Molecular FormulaC20H20F3N3O2S
Molecular Weight423.46 g/mol
Exact Mass423.12
IUPAC Name2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccccc3C(F)(F)F)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H20F3N3O2S/c1-12-10-16-18(29-12)13(11-26-6-8-28-9-7-26)17(24-16)19(27)25-15-5-3-2-4-14(15)20(21,22)23/h2-5,10,24H,6-9,11H2,1H3,(H,25,27)
InChIKeyHBJKGCNJTUVBAJ-UHFFFAOYSA-N
XLogP4.64
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139807
2-methyl-N-(3-methylphenyl)-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721743
N-(4-cyano-3-pyridinyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721784
3-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 46778635
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623369
N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 170721646) is 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccccc3C(F)(F)F)c(CN3CCOCC3)c2s1.
What is the InChIKey of 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is HBJKGCNJTUVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2S/c1-12-10-16-18(29-12)13(11-26-6-8-28-9-7-26)17(24-16)19(27)25-15-5-3-2-4-14(15)20(21,22)23/h2-5,10,24H,6-9,11H2,1H3,(H,25,27).
What are the key properties of 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 423.46 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 170721646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).