5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide

C15H15IN2OS — CID 78948690

IUPAC5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1csc(I)c1
InChIInChI=1S/C15H15IN2OS/c16-14-9-11(10-20-14)15(19)17-12-3-5-13(6-4-12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyLAVNJXCYLKXEOO-UHFFFAOYSA-N
MW398.27 g/mol
LogP4.21
Rot. Bonds3

About 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide

5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide (PubChem CID 78948690) has the molecular formula C15H15IN2OS and a molecular weight of 398.27 g/mol. Its IUPAC name is 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
PubChem CID78948690
Molecular FormulaC15H15IN2OS
Molecular Weight398.27 g/mol
Exact Mass397.99
IUPAC Name5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1csc(I)c1
InChIInChI=1S/C15H15IN2OS/c16-14-9-11(10-20-14)15(19)17-12-3-5-13(6-4-12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19)
InChIKeyLAVNJXCYLKXEOO-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
4-methyl-3-(phenylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502974
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The IUPAC name of 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide (CID 78948690) is 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The canonical SMILES for 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1csc(I)c1.
What is the InChIKey of 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
The InChIKey is LAVNJXCYLKXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2OS/c16-14-9-11(10-20-14)15(19)17-12-3-5-13(6-4-12)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8H2,(H,17,19).
What are the key properties of 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide?
5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide has a molecular weight of 398.27 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-(4-pyrrolidin-1-ylphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 78948690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).