2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide

C13H19ClN2OS — CID 8849744

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-16(8-11-6-7-12(14)18-11)9-13(17)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyRJDGKXBXFRGVES-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.89
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide (PubChem CID 8849744) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
PubChem CID8849744
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide
SMILESCN(CC(=O)NC1CCCC1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/c1-16(8-11-6-7-12(14)18-11)9-13(17)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,17)
InChIKeyRJDGKXBXFRGVES-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]-N-cyclopentylbenzamide
CID 9293907
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
2-[[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910725
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(dicyclopropylmethyl)acetamide
CID 34093228
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
3-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-cyclohexylpropanamide
CID 78850861
2-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 60922338
N-cyclopentyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 27099197
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9294021

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide (CID 8849744) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide is CN(CC(=O)NC1CCCC1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide?
The InChIKey is RJDGKXBXFRGVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-16(8-11-6-7-12(14)18-11)9-13(17)15-10-4-2-3-5-10/h6-7,10H,2-5,8-9H2,1H3,(H,15,17).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide has a molecular weight of 286.83 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 8849744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).