N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide

C18H22N2OS — CID 91950447

IUPACN-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccccc1Cc1cccs1
InChIInChI=1S/C18H22N2OS/c21-18(19-9-12-20-10-3-4-11-20)17-8-2-1-6-15(17)14-16-7-5-13-22-16/h1-2,5-8,13H,3-4,9-12,14H2,(H,19,21)
InChIKeyVFUMUZBQXFZENI-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.16
Rot. Bonds6

About N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide

N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide (PubChem CID 91950447) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide
PubChem CID91950447
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccccc1Cc1cccs1
InChIInChI=1S/C18H22N2OS/c21-18(19-9-12-20-10-3-4-11-20)17-8-2-1-6-15(17)14-16-7-5-13-22-16/h1-2,5-8,13H,3-4,9-12,14H2,(H,19,21)
InChIKeyVFUMUZBQXFZENI-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 2952427
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110397782
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2,3-dihydroxy-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 107325487

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide (CID 91950447) is N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide is O=C(NCCN1CCCC1)c1ccccc1Cc1cccs1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide?
The InChIKey is VFUMUZBQXFZENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(19-9-12-20-10-3-4-11-20)17-8-2-1-6-15(17)14-16-7-5-13-22-16/h1-2,5-8,13H,3-4,9-12,14H2,(H,19,21).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide?
N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide has a molecular weight of 314.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 91950447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).