N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

C22H19FN2O2S — CID 42797272

IUPACN-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3ccsc32)cc1
InChIInChI=1S/C22H19FN2O2S/c1-27-19-8-4-16(5-9-19)14-25-20(12-17-10-11-28-22(17)25)21(26)24-13-15-2-6-18(23)7-3-15/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyYKTNPEAXDBPTNS-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.83
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide

N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 42797272) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
PubChem CID42797272
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3ccsc32)cc1
InChIInChI=1S/C22H19FN2O2S/c1-27-19-8-4-16(5-9-19)14-25-20(12-17-10-11-28-22(17)25)21(26)24-13-15-2-6-18(23)7-3-15/h2-12H,13-14H2,1H3,(H,24,26)
InChIKeyYKTNPEAXDBPTNS-UHFFFAOYSA-N
XLogP4.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-fluorophenyl)methyl]-N-(2-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 4131807
N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797267
methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
ethyl 6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 6487721
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
CID 7301899
(2R)-4-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 93117186
4-[(4-tert-butylphenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848585
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
N-[[4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 46950176
N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848710
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide (CID 42797272) is N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3ccsc32)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is YKTNPEAXDBPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-27-19-8-4-16(5-9-19)14-25-20(12-17-10-11-28-22(17)25)21(26)24-13-15-2-6-18(23)7-3-15/h2-12H,13-14H2,1H3,(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42797272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).