5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide

C14H13ClN2O2S — CID 97330247

IUPAC5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-9(7-12(18)13-3-2-6-20-13)17-14(19)11-5-4-10(15)8-16-11/h2-6,8-9H,7H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyOLNIQJXJYFZASH-VIFPVBQESA-N
MW308.79 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide

5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide (PubChem CID 97330247) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
PubChem CID97330247
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
SMILESC[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O2S/c1-9(7-12(18)13-3-2-6-20-13)17-14(19)11-5-4-10(15)8-16-11/h2-6,8-9H,7H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyOLNIQJXJYFZASH-VIFPVBQESA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
3-methyl-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]but-2-enamide
CID 97240896
5-(ethylamino)-N-(1-thiophen-2-ylpropan-2-yl)pyridine-2-carboxamide
CID 104641309
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
4-imidazol-1-yl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)benzamide
CID 84589934
5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 75384422
5-chloro-N-(1-hydroxy-4-methylpentan-3-yl)pyridine-2-carboxamide
CID 103782372
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-2-(tetrazol-1-yl)acetamide
CID 75387931

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide (CID 97330247) is 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide is C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide?
The InChIKey is OLNIQJXJYFZASH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-9(7-12(18)13-3-2-6-20-13)17-14(19)11-5-4-10(15)8-16-11/h2-6,8-9H,7H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide?
5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 97330247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).