N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide

C14H16N2OS — CID 79389065

IUPACN-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,5,7-9,12,15H,4,6H2,1H3,(H,16,17)
InChIKeyBXYSKWGLCYZDPO-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.84
Rot. Bonds2

About N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide

N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79389065) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79389065
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C14H16N2OS/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,5,7-9,12,15H,4,6H2,1H3,(H,16,17)
InChIKeyBXYSKWGLCYZDPO-UHFFFAOYSA-N
XLogP2.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382988
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 60848684
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide (CID 79389065) is N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide is CC1NCCC1C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is BXYSKWGLCYZDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-12(4-6-15-9)14(17)16-11-2-3-13-10(8-11)5-7-18-13/h2-3,5,7-9,12,15H,4,6H2,1H3,(H,16,17).
What are the key properties of N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide?
N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).