4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide

C17H18N2OS — CID 3225185

IUPAC4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h3-8,10-11H,2,9,12H2,1H3,(H,18,20)
InChIKeyUVMZOALAYLBOKO-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.89
Rot. Bonds5

About 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225185) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225185
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCNC(=O)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C17H18N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h3-8,10-11H,2,9,12H2,1H3,(H,18,20)
InChIKeyUVMZOALAYLBOKO-UHFFFAOYSA-N
XLogP3.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
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
N-butyl-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 3225394
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437560
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-[(4-tert-butylphenyl)methyl]-N-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039009
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide (CID 3225185) is 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide is CCCNC(=O)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is UVMZOALAYLBOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-9-18-17(20)15-11-16-14(8-10-21-16)19(15)12-13-6-4-3-5-7-13/h3-8,10-11H,2,9,12H2,1H3,(H,18,20).
What are the key properties of 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).