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

C18H22N2OS — CID 17012410

IUPAC3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C18H22N2OS/c1-14-6-4-7-15(12-14)18(21)19-13-16(17-8-5-11-22-17)20-9-2-3-10-20/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21)
InChIKeyBTJBMZFQQBHNOP-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.62
Rot. Bonds5

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

3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 17012410) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID17012410
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESCc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1
InChIInChI=1S/C18H22N2OS/c1-14-6-4-7-15(12-14)18(21)19-13-16(17-8-5-11-22-17)20-9-2-3-10-20/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21)
InChIKeyBTJBMZFQQBHNOP-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-chloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34951917
3-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984511
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 18577850
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43842823
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-ethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43843143
3,5-difluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34979612
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 17012410) is 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is Cc1cccc(C(=O)NCC(c2cccs2)N2CCCC2)c1.
What is the InChIKey of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is BTJBMZFQQBHNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-4-7-15(12-14)18(21)19-13-16(17-8-5-11-22-17)20-9-2-3-10-20/h4-8,11-12,16H,2-3,9-10,13H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 314.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 17012410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).