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

C20H22FN3O2S — CID 53139807

IUPACN-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccc(F)cc3C)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-12-9-14(21)3-4-16(12)23-20(25)18-15(11-24-5-7-26-8-6-24)19-17(22-18)10-13(2)27-19/h3-4,9-10,22H,5-8,11H2,1-2H3,(H,23,25)
InChIKeyWFYBPKFKDCTDEV-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.07
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139807) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139807
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3ccc(F)cc3C)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-12-9-14(21)3-4-16(12)23-20(25)18-15(11-24-5-7-26-8-6-24)19-17(22-18)10-13(2)27-19/h3-4,9-10,22H,5-8,11H2,1-2H3,(H,23,25)
InChIKeyWFYBPKFKDCTDEV-UHFFFAOYSA-N
XLogP4.07
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139818
N-(2-iodophenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 174298533
2-methyl-6-(morpholin-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721646
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
N-(3-chloro-1-methylpyrazol-4-yl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721717
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(4-fluoro-2-methylphenyl)-3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 53005325
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139807) is N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3ccc(F)cc3C)c(CN3CCOCC3)c2s1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is WFYBPKFKDCTDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-12-9-14(21)3-4-16(12)23-20(25)18-15(11-24-5-7-26-8-6-24)19-17(22-18)10-13(2)27-19/h3-4,9-10,22H,5-8,11H2,1-2H3,(H,23,25).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).