5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide

C18H23N3OS — CID 72842682

IUPAC5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)20-18(22)17-7-6-16(23-17)14-4-3-5-15(12-14)21-10-8-19-9-11-21/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyMFUMJGRLKRSEOQ-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.96
Rot. Bonds4

About 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide

5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 72842682) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID72842682
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C18H23N3OS/c1-13(2)20-18(22)17-7-6-16(23-17)14-4-3-5-15(12-14)21-10-8-19-9-11-21/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22)
InChIKeyMFUMJGRLKRSEOQ-UHFFFAOYSA-N
XLogP2.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide (CID 72842682) is 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)NC(=O)c1ccc(-c2cccc(N3CCNCC3)c2)s1.
What is the InChIKey of 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is MFUMJGRLKRSEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)20-18(22)17-7-6-16(23-17)14-4-3-5-15(12-14)21-10-8-19-9-11-21/h3-7,12-13,19H,8-11H2,1-2H3,(H,20,22).
What are the key properties of 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide?
5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylphenyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 72842682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).