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

C21H17N3OS — CID 155803468

IUPAC4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C21H17N3OS/c25-21(23-22-14-16-7-3-1-4-8-16)19-13-20-18(11-12-26-20)24(19)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25)/b22-14+
InChIKeyMAXFSNXARBNPMW-HYARGMPZSA-N
MW359.45 g/mol
LogP4.51
Rot. Bonds5

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

4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 155803468) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID155803468
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC Name4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1cc2sccc2n1Cc1ccccc1
InChIInChI=1S/C21H17N3OS/c25-21(23-22-14-16-7-3-1-4-8-16)19-13-20-18(11-12-26-20)24(19)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25)/b22-14+
InChIKeyMAXFSNXARBNPMW-HYARGMPZSA-N
XLogP4.51
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
4-benzyl-N-(3-fluorophenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225121
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-N-(3-ethoxypropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 6487098
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide (CID 155803468) is 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide is O=C(N/N=C/c1ccccc1)c1cc2sccc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MAXFSNXARBNPMW-HYARGMPZSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-21(23-22-14-16-7-3-1-4-8-16)19-13-20-18(11-12-26-20)24(19)15-17-9-5-2-6-10-17/h1-14H,15H2,(H,23,25)/b22-14+.
What are the key properties of 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(E)-benzylideneamino]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 155803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).