N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide

C15H24N2OS — CID 106612363

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCCCCN(CC1CCCN1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H24N2OS/c1-2-3-8-17(11-14-5-4-7-16-14)15(18)10-13-6-9-19-12-13/h6,9,12,14,16H,2-5,7-8,10-11H2,1H3
InChIKeyXPEFPFMANDZWHR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.67
Rot. Bonds7

About N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide

N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide (PubChem CID 106612363) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
PubChem CID106612363
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
SMILESCCCCN(CC1CCCN1)C(=O)Cc1ccsc1
InChIInChI=1S/C15H24N2OS/c1-2-3-8-17(11-14-5-4-7-16-14)15(18)10-13-6-9-19-12-13/h6,9,12,14,16H,2-5,7-8,10-11H2,1H3
InChIKeyXPEFPFMANDZWHR-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
N-butyl-2-phenylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612016
N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106612681
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 106615069
N-butyl-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612351
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
N-butyl-5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611857
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclopent-3-ene-1-carboxamide
CID 106612077
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide (CID 106612363) is N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide is CCCCN(CC1CCCN1)C(=O)Cc1ccsc1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide?
The InChIKey is XPEFPFMANDZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-2-3-8-17(11-14-5-4-7-16-14)15(18)10-13-6-9-19-12-13/h6,9,12,14,16H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide?
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 106612363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).