4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C23H24N2OS — CID 42917071

IUPAC4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c26-23(20-12-10-19(11-13-20)18-7-2-1-3-8-18)24-17-21(22-9-6-16-27-22)25-14-4-5-15-25/h1-3,6-13,16,21H,4-5,14-15,17H2,(H,24,26)
InChIKeyGHFQYBQTHUKJCE-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.98
Rot. Bonds6

About 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 42917071) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
PubChem CID42917071
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N2OS/c26-23(20-12-10-19(11-13-20)18-7-2-1-3-8-18)24-17-21(22-9-6-16-27-22)25-14-4-5-15-25/h1-3,6-13,16,21H,4-5,14-15,17H2,(H,24,26)
InChIKeyGHFQYBQTHUKJCE-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
1-oxido-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridin-1-ium-4-carboxamide
CID 51179567
4-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 46522609
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-4-propan-2-yloxybenzamide
CID 17012146

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 42917071) is 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
The InChIKey is GHFQYBQTHUKJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c26-23(20-12-10-19(11-13-20)18-7-2-1-3-8-18)24-17-21(22-9-6-16-27-22)25-14-4-5-15-25/h1-3,6-13,16,21H,4-5,14-15,17H2,(H,24,26).
What are the key properties of 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 376.53 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 42917071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).