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

C23H21FN2O2S — CID 42848710

IUPACN-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3sc(C)cc32)c1
InChIInChI=1S/C23H21FN2O2S/c1-15-10-20-22(29-15)12-21(23(27)25-13-16-6-8-18(24)9-7-16)26(20)14-17-4-3-5-19(11-17)28-2/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyOSSUVHGJBXNWLI-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.14
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848710) has the molecular formula C23H21FN2O2S and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848710
Molecular FormulaC23H21FN2O2S
Molecular Weight408.50 g/mol
Exact Mass408.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1cccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3sc(C)cc32)c1
InChIInChI=1S/C23H21FN2O2S/c1-15-10-20-22(29-15)12-21(23(27)25-13-16-6-8-18(24)9-7-16)26(20)14-17-4-3-5-19(11-17)28-2/h3-12H,13-14H2,1-2H3,(H,25,27)
InChIKeyOSSUVHGJBXNWLI-UHFFFAOYSA-N
XLogP5.14
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
2-bromo-4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42856692
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
N-benzyl-2-bromo-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289653
4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523
4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848734
2-chloro-4-ethyl-N-[(3-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 20877200
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675
4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052185
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 42848710) is N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1cccc(Cn2c(C(=O)NCc3ccc(F)cc3)cc3sc(C)cc32)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is OSSUVHGJBXNWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2S/c1-15-10-20-22(29-15)12-21(23(27)25-13-16-6-8-18(24)9-7-16)26(20)14-17-4-3-5-19(11-17)28-2/h3-12H,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.14, 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]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).