2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide

C14H22N2OS — CID 16931597

IUPAC2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14(17)15-9-13(12-5-8-18-10-12)16-6-3-4-7-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyAWADWDZESSBOHX-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.66
Rot. Bonds5

About 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide

2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide (PubChem CID 16931597) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
PubChem CID16931597
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide
SMILESCC(C)C(=O)NCC(c1ccsc1)N1CCCC1
InChIInChI=1S/C14H22N2OS/c1-11(2)14(17)15-9-13(12-5-8-18-10-12)16-6-3-4-7-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,15,17)
InChIKeyAWADWDZESSBOHX-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-N'-propan-2-yloxamide
CID 16932587
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-2-(2-chlorophenyl)acetamide
CID 124761077
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)cyclohexanecarboxamide
CID 16931542
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)pentanamide
CID 16931235
N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 40847538
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931885
2-(4-chlorophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)acetamide
CID 16931253
N-(2-methoxyethyl)-N'-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848626
N-[(2-chlorophenyl)methyl]-N'-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide
CID 16932218
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
N-[4-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 16933276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide (CID 16931597) is 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide is CC(C)C(=O)NCC(c1ccsc1)N1CCCC1.
What is the InChIKey of 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide?
The InChIKey is AWADWDZESSBOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11(2)14(17)15-9-13(12-5-8-18-10-12)16-6-3-4-7-16/h5,8,10-11,13H,3-4,6-7,9H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide?
2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 16931597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).