N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide

C21H26N2O2S — CID 46684567

IUPACN-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2S/c1-2-25-19-8-10-20(11-9-19)26-16-21(24)22-18-12-13-23(15-18)14-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeyXHTCGEPGVFYYAC-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.57
Rot. Bonds8

About N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide

N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide (PubChem CID 46684567) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
PubChem CID46684567
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide
SMILESCCOc1ccc(SCC(=O)NC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2S/c1-2-25-19-8-10-20(11-9-19)26-16-21(24)22-18-12-13-23(15-18)14-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)
InChIKeyXHTCGEPGVFYYAC-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 24576550
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
tert-butyl N-[(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 90686359
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 8871168
N-(1-benzylpyrrolidin-3-yl)-3-(ethylamino)propanamide
CID 62833579
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide (CID 46684567) is N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide is CCOc1ccc(SCC(=O)NC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide?
The InChIKey is XHTCGEPGVFYYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-2-25-19-8-10-20(11-9-19)26-16-21(24)22-18-12-13-23(15-18)14-17-6-4-3-5-7-17/h3-11,18H,2,12-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide?
N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide has a molecular weight of 370.52 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-(4-ethoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 46684567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).