N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

C19H19F2N3OS — CID 53139736

IUPACN-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3cc(F)ccc3F)c(CN3CCCC3)c2s1
InChIInChI=1S/C19H19F2N3OS/c1-11-8-16-18(26-11)13(10-24-6-2-3-7-24)17(22-16)19(25)23-15-9-12(20)4-5-14(15)21/h4-5,8-9,22H,2-3,6-7,10H2,1H3,(H,23,25)
InChIKeyNXQOCFGEEUJDLW-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.66
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 53139736) has the molecular formula C19H19F2N3OS and a molecular weight of 375.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID53139736
Molecular FormulaC19H19F2N3OS
Molecular Weight375.44 g/mol
Exact Mass375.12
IUPAC NameN-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2[nH]c(C(=O)Nc3cc(F)ccc3F)c(CN3CCCC3)c2s1
InChIInChI=1S/C19H19F2N3OS/c1-11-8-16-18(26-11)13(10-24-6-2-3-7-24)17(22-16)19(25)23-15-9-12(20)4-5-14(15)21/h4-5,8-9,22H,2-3,6-7,10H2,1H3,(H,23,25)
InChIKeyNXQOCFGEEUJDLW-UHFFFAOYSA-N
XLogP4.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139807
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
N-(4-cyano-3-pyridinyl)-2-methyl-6-(morpholin-4-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 170721784
N-(2-chlorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 170721645
N-(2,5-difluorophenyl)-5-methylthiophene-2-carboxamide
CID 16583786
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30725889
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
N-cyclopentyl-6-[(dimethylamino)methyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxamide
CID 53139876
N-(4-fluorophenyl)-4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387143
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 53139736) is N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is Cc1cc2[nH]c(C(=O)Nc3cc(F)ccc3F)c(CN3CCCC3)c2s1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is NXQOCFGEEUJDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3OS/c1-11-8-16-18(26-11)13(10-24-6-2-3-7-24)17(22-16)19(25)23-15-9-12(20)4-5-14(15)21/h4-5,8-9,22H,2-3,6-7,10H2,1H3,(H,23,25).
What are the key properties of N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-methyl-6-(pyrrolidin-1-ylmethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 53139736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).