N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide

C18H22N2OS — CID 42959536

IUPACN-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H22N2OS/c21-18(7-6-15-9-11-22-14-15)19-12-16-8-10-20(13-16)17-4-2-1-3-5-17/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,19,21)
InChIKeyFZHQCJPSYAVZDY-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.32
Rot. Bonds6

About N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide

N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide (PubChem CID 42959536) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
PubChem CID42959536
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C18H22N2OS/c21-18(7-6-15-9-11-22-14-15)19-12-16-8-10-20(13-16)17-4-2-1-3-5-17/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,19,21)
InChIKeyFZHQCJPSYAVZDY-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide (CID 42959536) is N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is FZHQCJPSYAVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(7-6-15-9-11-22-14-15)19-12-16-8-10-20(13-16)17-4-2-1-3-5-17/h1-5,9,11,14,16H,6-8,10,12-13H2,(H,19,21).
What are the key properties of N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide?
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 314.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrrolidin-3-yl)methyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 42959536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).