4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide

C14H13ClN2O2S — CID 25162447

IUPAC4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)nc1
InChIInChI=1S/C14H13ClN2O2S/c1-9-2-6-13(16-8-9)17-14(19)7-3-10(18)11-4-5-12(15)20-11/h2,4-6,8H,3,7H2,1H3,(H,16,17,19)
InChIKeyPHIQCXPGWVMSPA-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.71
Rot. Bonds5

About 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide (PubChem CID 25162447) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide
PubChem CID25162447
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)nc1
InChIInChI=1S/C14H13ClN2O2S/c1-9-2-6-13(16-8-9)17-14(19)7-3-10(18)11-4-5-12(15)20-11/h2,4-6,8H,3,7H2,1H3,(H,16,17,19)
InChIKeyPHIQCXPGWVMSPA-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide (CID 25162447) is 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)nc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide?
The InChIKey is PHIQCXPGWVMSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9-2-6-13(16-8-9)17-14(19)7-3-10(18)11-4-5-12(15)20-11/h2,4-6,8H,3,7H2,1H3,(H,16,17,19).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide has a molecular weight of 308.79 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 25162447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).