N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide

C12H18ClNOS — CID 107205870

IUPACN-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CCCCCCl)C(=O)Cc1ccsc1
InChIInChI=1S/C12H18ClNOS/c1-14(7-4-2-3-6-13)12(15)9-11-5-8-16-10-11/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyFEZXKQVEJLMXHU-UHFFFAOYSA-N
MW259.80 g/mol
LogP3.16
Rot. Bonds7

About N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide

N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 107205870) has the molecular formula C12H18ClNOS and a molecular weight of 259.80 g/mol. Its IUPAC name is N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
PubChem CID107205870
Molecular FormulaC12H18ClNOS
Molecular Weight259.80 g/mol
Exact Mass259.08
IUPAC NameN-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CCCCCCl)C(=O)Cc1ccsc1
InChIInChI=1S/C12H18ClNOS/c1-14(7-4-2-3-6-13)12(15)9-11-5-8-16-10-11/h5,8,10H,2-4,6-7,9H2,1H3
InChIKeyFEZXKQVEJLMXHU-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.80
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
N-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
CID 102871977
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-thiophen-3-ylacetamide
CID 79652303
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755
N-[(3-carbamothioylphenyl)methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 62967035
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 91797603

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide (CID 107205870) is N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide is CN(CCCCCCl)C(=O)Cc1ccsc1.
What is the InChIKey of N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is FEZXKQVEJLMXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNOS/c1-14(7-4-2-3-6-13)12(15)9-11-5-8-16-10-11/h5,8,10H,2-4,6-7,9H2,1H3.
What are the key properties of N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide?
N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 259.80 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 107205870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).