N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide

C15H24N2OS — CID 110402982

IUPACN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)C(CNC(=O)Cc1cccs1)N1CCCC1
InChIInChI=1S/C15H24N2OS/c1-12(2)14(17-7-3-4-8-17)11-16-15(18)10-13-6-5-9-19-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyFSQIYDLBEJGSRW-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.53
Rot. Bonds6

About N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide

N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide (PubChem CID 110402982) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide
PubChem CID110402982
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide
SMILESCC(C)C(CNC(=O)Cc1cccs1)N1CCCC1
InChIInChI=1S/C15H24N2OS/c1-12(2)14(17-7-3-4-8-17)11-16-15(18)10-13-6-5-9-19-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyFSQIYDLBEJGSRW-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-thiophen-2-ylpropanamide
CID 94249164
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
N-[2-(methylamino)propyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 120827269
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(3-methyl-2-piperidin-1-ylbutyl)furan-2-carboxamide
CID 110402831
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304
2-(2,6-dichlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 55520442
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
methyl 2-bromo-3-[(2-thiophen-2-ylacetyl)amino]propanoate
CID 103492522
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide (CID 110402982) is N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide is CC(C)C(CNC(=O)Cc1cccs1)N1CCCC1.
What is the InChIKey of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide?
The InChIKey is FSQIYDLBEJGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12(2)14(17-7-3-4-8-17)11-16-15(18)10-13-6-5-9-19-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide?
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide has a molecular weight of 280.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyrrolidin-1-ylbutyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110402982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).