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

C20H22FN3O2S — CID 53139818

IUPACN-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3cccc(F)c3C)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-12-10-17-19(27-12)14(11-24-6-8-26-9-7-24)18(22-17)20(25)23-16-5-3-4-15(21)13(16)2/h3-5,10,22H,6-9,11H2,1-2H3,(H,23,25)
InChIKeyMSZAPEVTGPCELW-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.07
Rot. Bonds4

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

N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139818) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139818
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3cccc(F)c3C)c(CN3CCOCC3)c2s1
InChIInChI=1S/C20H22FN3O2S/c1-12-10-17-19(27-12)14(11-24-6-8-26-9-7-24)18(22-17)20(25)23-16-5-3-4-15(21)13(16)2/h3-5,10,22H,6-9,11H2,1-2H3,(H,23,25)
InChIKeyMSZAPEVTGPCELW-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-(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
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-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139736
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-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139818) is N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3cccc(F)c3C)c(CN3CCOCC3)c2s1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MSZAPEVTGPCELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-12-10-17-19(27-12)14(11-24-6-8-26-9-7-24)18(22-17)20(25)23-16-5-3-4-15(21)13(16)2/h3-5,10,22H,6-9,11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(3-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-(3-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).