4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C19H20N2OS — CID 46039034

IUPAC4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NC(C)c2ccccc2)cc2sccc21
InChIInChI=1S/C19H20N2OS/c1-3-4-11-21-16-10-12-23-18(16)13-17(21)19(22)20-14(2)15-8-6-5-7-9-15/h3-10,12-14H,11H2,1-2H3,(H,20,22)/b4-3+
InChIKeyZYEOJQMEJSFKJO-ONEGZZNKSA-N
MW324.45 g/mol
LogP4.77
Rot. Bonds5

About 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide

4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46039034) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46039034
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESC/C=C/Cn1c(C(=O)NC(C)c2ccccc2)cc2sccc21
InChIInChI=1S/C19H20N2OS/c1-3-4-11-21-16-10-12-23-18(16)13-17(21)19(22)20-14(2)15-8-6-5-7-9-15/h3-10,12-14H,11H2,1-2H3,(H,20,22)/b4-3+
InChIKeyZYEOJQMEJSFKJO-ONEGZZNKSA-N
XLogP4.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
4-methyl-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877133
4-[(4-methoxyphenyl)methyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46156383
N-butan-2-yl-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 75768805
methyl 2-[(4-benzylthieno[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51052868
4-benzyl-3-bromo-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040335
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797250
4-benzyl-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225185

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 46039034) is 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is C/C=C/Cn1c(C(=O)NC(C)c2ccccc2)cc2sccc21.
What is the InChIKey of 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is ZYEOJQMEJSFKJO-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-4-11-21-16-10-12-23-18(16)13-17(21)19(22)20-14(2)15-8-6-5-7-9-15/h3-10,12-14H,11H2,1-2H3,(H,20,22)/b4-3+.
What are the key properties of 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-N-(1-phenylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46039034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).