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

C22H20N2OS — CID 46039049

IUPACN-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NCc2ccccc2)cc2sccc21
InChIInChI=1S/C22H20N2OS/c1-16-7-5-6-10-18(16)15-24-19-11-12-26-21(19)13-20(24)22(25)23-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyGAMCUAWCPFCYHT-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.99
Rot. Bonds5

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

N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039049) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039049
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC NameN-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccccc1Cn1c(C(=O)NCc2ccccc2)cc2sccc21
InChIInChI=1S/C22H20N2OS/c1-16-7-5-6-10-18(16)15-24-19-11-12-26-21(19)13-20(24)22(25)23-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,25)
InChIKeyGAMCUAWCPFCYHT-UHFFFAOYSA-N
XLogP4.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
4-[(2-methylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848588
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-prop-2-enylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225128
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-[(2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038876
4-[(3,5-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039181
N-[(2-fluorophenyl)methyl]-2-methyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039574
4-[(4-tert-butylphenyl)methyl]-N-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46039049) is N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is Cc1ccccc1Cn1c(C(=O)NCc2ccccc2)cc2sccc21.
What is the InChIKey of N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is GAMCUAWCPFCYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-16-7-5-6-10-18(16)15-24-19-11-12-26-21(19)13-20(24)22(25)23-14-17-8-3-2-4-9-17/h2-13H,14-15H2,1H3,(H,23,25).
What are the key properties of N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).