4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C13H19BrN2OS — CID 1247737

IUPAC4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(C)CC2)cc1Br
InChIInChI=1S/C13H19BrN2OS/c1-3-11-10(14)8-12(18-11)13(17)15-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeySEFDIVJNWDBRMI-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.90
Rot. Bonds3

About 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 1247737) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID1247737
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(C)CC2)cc1Br
InChIInChI=1S/C13H19BrN2OS/c1-3-11-10(14)8-12(18-11)13(17)15-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,15,17)
InChIKeySEFDIVJNWDBRMI-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 1247737) is 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CCc1sc(C(=O)NC2CCN(C)CC2)cc1Br.
What is the InChIKey of 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is SEFDIVJNWDBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-3-11-10(14)8-12(18-11)13(17)15-9-4-6-16(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-ethyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1247737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).