N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide

C22H22N2OS — CID 55703679

IUPACN-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C22H22N2OS/c25-22(23-20-5-2-1-3-6-20)18-10-8-17(9-11-18)15-24-13-4-7-21(24)19-12-14-26-16-19/h1-3,5-6,8-12,14,16,21H,4,7,13,15H2,(H,23,25)
InChIKeyDHIPGBQTSVRVOY-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.34
Rot. Bonds5

About N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide

N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide (PubChem CID 55703679) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
PubChem CID55703679
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C22H22N2OS/c25-22(23-20-5-2-1-3-6-20)18-10-8-17(9-11-18)15-24-13-4-7-21(24)19-12-14-26-16-19/h1-3,5-6,8-12,14,16,21H,4,7,13,15H2,(H,23,25)
InChIKeyDHIPGBQTSVRVOY-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
4-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 40795104
4-[[(2R)-2-phenylpyrrolidin-1-yl]methyl]benzamide
CID 51476383
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
CID 174518113
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-N-methylbenzamide
CID 86952073
N-(3-acetylphenyl)-4-[(2-methylpyrrolidin-1-yl)methyl]benzamide
CID 50980549
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide (CID 55703679) is N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide is O=C(Nc1ccccc1)c1ccc(CN2CCCC2c2ccsc2)cc1.
What is the InChIKey of N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide?
The InChIKey is DHIPGBQTSVRVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-22(23-20-5-2-1-3-6-20)18-10-8-17(9-11-18)15-24-13-4-7-21(24)19-12-14-26-16-19/h1-3,5-6,8-12,14,16,21H,4,7,13,15H2,(H,23,25).
What are the key properties of N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide?
N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide has a molecular weight of 362.50 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55703679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).