5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

C17H19ClN2OS — CID 120598957

IUPAC5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCN1
InChIInChI=1S/C17H19ClN2OS/c1-11-10-14(8-9-19-11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,11,14,19H,8-10H2,1H3,(H,20,21)
InChIKeyFJSIKAKCVOZGOV-UHFFFAOYSA-N
MW334.87 g/mol
LogP3.94
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide

5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 120598957) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID120598957
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCC1CC(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCN1
InChIInChI=1S/C17H19ClN2OS/c1-11-10-14(8-9-19-11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,11,14,19H,8-10H2,1H3,(H,20,21)
InChIKeyFJSIKAKCVOZGOV-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 120598957) is 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is CC1CC(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)CCN1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is FJSIKAKCVOZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-11-10-14(8-9-19-11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12/h2-7,11,14,19H,8-10H2,1H3,(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 334.87 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 120598957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).