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

C23H22N2O2S — CID 42848733

IUPACN-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCc3ccccc3)cc3sc(C)cc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-12-20-22(28-16)13-21(23(26)24-14-17-6-4-3-5-7-17)25(20)15-18-8-10-19(27-2)11-9-18/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyVFGXRPYPAWFOLT-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.00
Rot. Bonds6

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

N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42848733) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42848733
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)NCc3ccccc3)cc3sc(C)cc32)cc1
InChIInChI=1S/C23H22N2O2S/c1-16-12-20-22(28-16)13-21(23(26)24-14-17-6-4-3-5-7-17)25(20)15-18-8-10-19(27-2)11-9-18/h3-13H,14-15H2,1-2H3,(H,24,26)
InChIKeyVFGXRPYPAWFOLT-UHFFFAOYSA-N
XLogP5.00
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848710
4-[(4-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848734
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
N,4-dibenzyl-2-bromothieno[3,2-b]pyrrole-5-carboxamide
CID 46039899
4-[(4-tert-butylphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039523
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
N-benzyl-2-bromo-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289653
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425
4-benzyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93327510
2-methyl-4-(2-phenylethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052829

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 42848733) is N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is COc1ccc(Cn2c(C(=O)NCc3ccccc3)cc3sc(C)cc32)cc1.
What is the InChIKey of N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is VFGXRPYPAWFOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-16-12-20-22(28-16)13-21(23(26)24-14-17-6-4-3-5-7-17)25(20)15-18-8-10-19(27-2)11-9-18/h3-13H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42848733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).