N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide

C20H22N2O3S — CID 119764045

IUPACN-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc2c(cc1Sc1ccccc1)OCCO2
InChIInChI=1S/C20H22N2O3S/c23-20(11-14-5-4-8-21-14)22-16-12-17-18(25-10-9-24-17)13-19(16)26-15-6-2-1-3-7-15/h1-3,6-7,12-14,21H,4-5,8-11H2,(H,22,23)
InChIKeyDXZBRLNGVWHEGS-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.69
Rot. Bonds5

About N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide

N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide (PubChem CID 119764045) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide
PubChem CID119764045
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)Nc1cc2c(cc1Sc1ccccc1)OCCO2
InChIInChI=1S/C20H22N2O3S/c23-20(11-14-5-4-8-21-14)22-16-12-17-18(25-10-9-24-17)13-19(16)26-15-6-2-1-3-7-15/h1-3,6-7,12-14,21H,4-5,8-11H2,(H,22,23)
InChIKeyDXZBRLNGVWHEGS-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-phenylsulfanylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119777713
3-amino-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)cyclohexane-1-carboxamide
CID 119764037
N-(2-bromophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371785
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
CID 43151261
2-pyrrolidin-2-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119706973
3-(4-oxo-3H-quinazolin-2-yl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide
CID 167823788
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119859537

Frequently Asked Questions

What is the IUPAC name of N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide (CID 119764045) is N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)Nc1cc2c(cc1Sc1ccccc1)OCCO2.
What is the InChIKey of N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide?
The InChIKey is DXZBRLNGVWHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(11-14-5-4-8-21-14)22-16-12-17-18(25-10-9-24-17)13-19(16)26-15-6-2-1-3-7-15/h1-3,6-7,12-14,21H,4-5,8-11H2,(H,22,23).
What are the key properties of N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide?
N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119764045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).