N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

C15H11ClN2OS — CID 3289820

IUPACN-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1-n1cccc1
InChIInChI=1S/C15H11ClN2OS/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-20-14)18-8-1-2-9-18/h1-10H,(H,17,19)
InChIKeyNTECAPRYYXFEAD-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.44
Rot. Bonds3

About N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 3289820) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID3289820
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1sccc1-n1cccc1
InChIInChI=1S/C15H11ClN2OS/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-20-14)18-8-1-2-9-18/h1-10H,(H,17,19)
InChIKeyNTECAPRYYXFEAD-UHFFFAOYSA-N
XLogP4.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 3289820) is N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1sccc1-n1cccc1.
What is the InChIKey of N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is NTECAPRYYXFEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-11-3-5-12(6-4-11)17-15(19)14-13(7-10-20-14)18-8-1-2-9-18/h1-10H,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 3289820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).