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

C19H22N2O2S — CID 42848734

IUPAC4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC(C)C)cc3sc(C)cc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-12(2)20-19(22)17-10-18-16(9-13(3)24-18)21(17)11-14-5-7-15(23-4)8-6-14/h5-10,12H,11H2,1-4H3,(H,20,22)
InChIKeyCJLJLGFZJPQUBW-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.21
Rot. Bonds5

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

4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848734) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848734
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NC(C)C)cc3sc(C)cc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-12(2)20-19(22)17-10-18-16(9-13(3)24-18)21(17)11-14-5-7-15(23-4)8-6-14/h5-10,12H,11H2,1-4H3,(H,20,22)
InChIKeyCJLJLGFZJPQUBW-UHFFFAOYSA-N
XLogP4.21
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.21
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-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848710
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
[2-methyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039472
4-[(3,4-difluorophenyl)methyl]-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039675
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
2-bromo-4-[(3-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848786
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide (CID 42848734) is 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NC(C)C)cc3sc(C)cc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CJLJLGFZJPQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-12(2)20-19(22)17-10-18-16(9-13(3)24-18)21(17)11-14-5-7-15(23-4)8-6-14/h5-10,12H,11H2,1-4H3,(H,20,22).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).