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

C19H22N2O2S — CID 46039256

IUPAC4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)11-20-19(22)17-10-18-16(8-9-24-18)21(17)12-14-4-6-15(23-3)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyJKMPAYNMWQYJEX-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.15
Rot. Bonds6

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

4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039256) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039256
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)cc1
InChIInChI=1S/C19H22N2O2S/c1-13(2)11-20-19(22)17-10-18-16(8-9-24-18)21(17)12-14-4-6-15(23-3)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,20,22)
InChIKeyJKMPAYNMWQYJEX-UHFFFAOYSA-N
XLogP4.15
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038838
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038960
N,N-diethyl-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 127040045
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
N-(2-methoxyethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038839
4-[(3,5-dimethoxyphenyl)methyl]-N-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052185
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-ethyl-N-(2-hydroxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 75770167
N-(cyclopropylmethyl)-1-[4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 127038782

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039256) is 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NCC(C)C)cc3sccc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JKMPAYNMWQYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13(2)11-20-19(22)17-10-18-16(8-9-24-18)21(17)12-14-4-6-15(23-3)7-5-14/h4-10,13H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).