2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

C15H17ClN2OS — CID 110767676

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-7-12-5-8-17-9-6-12)15(19)11-13-3-4-14(16)20-13/h3-6,8-9H,2,7,10-11H2,1H3
InChIKeyZZAORGMQRZEGSF-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.43
Rot. Bonds6

About 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 110767676) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID110767676
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c1-2-18(10-7-12-5-8-17-9-6-12)15(19)11-13-3-4-14(16)20-13/h3-6,8-9H,2,7,10-11H2,1H3
InChIKeyZZAORGMQRZEGSF-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-pyridin-4-ylbutan-2-one
CID 105088928
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
3-amino-N-ethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 22692037
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110679621
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767251
2-(5-chloro-4-methoxy-2-methylphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768725
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138
N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
CID 115997546
N,N-diethyl-3-pyridin-4-ylpropanamide
CID 78878654
N-ethyl-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 84561397
N-ethyl-2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 110673661

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (CID 110767676) is 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is ZZAORGMQRZEGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-18(10-7-12-5-8-17-9-6-12)15(19)11-13-3-4-14(16)20-13/h3-6,8-9H,2,7,10-11H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 308.83 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 110767676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).