N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide

C13H13ClN2OS — CID 167851976

IUPACN-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccncc1Cl
InChIInChI=1S/C13H13ClN2OS/c14-11-9-15-7-6-12(11)16-13(17)5-1-3-10-4-2-8-18-10/h2,4,6-9H,1,3,5H2,(H,15,16,17)
InChIKeyYVPUPFMYINXYLD-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.76
Rot. Bonds5

About N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide

N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide (PubChem CID 167851976) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
PubChem CID167851976
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1ccncc1Cl
InChIInChI=1S/C13H13ClN2OS/c14-11-9-15-7-6-12(11)16-13(17)5-1-3-10-4-2-8-18-10/h2,4,6-9H,1,3,5H2,(H,15,16,17)
InChIKeyYVPUPFMYINXYLD-UHFFFAOYSA-N
XLogP3.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(4-amino-3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 82862241
N-(2-iodophenyl)-4-thiophen-2-ylbutanamide
CID 26087634
N-[2-chloro-4-(4-thiophen-2-ylbutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 131916019
4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 78781844
N-(1,3-dimethylpyrazol-4-yl)-4-thiophen-2-ylbutanamide
CID 134698261
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(2-bromo-5-methylphenyl)-4-thiophen-2-ylbutanamide
CID 82707214
N-(2-bromo-5-fluorophenyl)-4-thiophen-2-ylbutanamide
CID 103753352
N-(2-propan-2-ylpyrazol-3-yl)-4-thiophen-2-ylbutanamide
CID 47097276
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 18079690

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide (CID 167851976) is N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1ccncc1Cl.
What is the InChIKey of N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide?
The InChIKey is YVPUPFMYINXYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-11-9-15-7-6-12(11)16-13(17)5-1-3-10-4-2-8-18-10/h2,4,6-9H,1,3,5H2,(H,15,16,17).
What are the key properties of N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide?
N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide has a molecular weight of 280.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridinyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 167851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).