N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide

C17H19ClN2OS — CID 2438704

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1
InChIInChI=1S/C17H19ClN2OS/c1-12-5-8-16(22-12)17(21)19-14-11-13(18)6-7-15(14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyRVDGYJRNXYSZRV-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.95
Rot. Bonds3

About N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 2438704) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
PubChem CID2438704
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1
InChIInChI=1S/C17H19ClN2OS/c1-12-5-8-16(22-12)17(21)19-14-11-13(18)6-7-15(14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyRVDGYJRNXYSZRV-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide (CID 2438704) is N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)s1.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is RVDGYJRNXYSZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-12-5-8-16(22-12)17(21)19-14-11-13(18)6-7-15(14)20-9-3-2-4-10-20/h5-8,11H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 2438704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).