N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide

C11H13NO2S — CID 115167217

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO2S/c13-11(7-15)12-6-8-1-2-10-9(5-8)3-4-14-10/h1-2,5,15H,3-4,6-7H2,(H,12,13)
InChIKeyXSRXJDXNDXEVDP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.17
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide (PubChem CID 115167217) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
PubChem CID115167217
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
SMILESO=C(CS)NCc1ccc2c(c1)CCO2
InChIInChI=1S/C11H13NO2S/c13-11(7-15)12-6-8-1-2-10-9(5-8)3-4-14-10/h1-2,5,15H,3-4,6-7H2,(H,12,13)
InChIKeyXSRXJDXNDXEVDP-UHFFFAOYSA-N
XLogP1.17
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide 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-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(2-sulfanylacetyl)amino]hexanamide
CID 58608886
2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-oxoacetic acid
CID 115141351
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-[(3S)-oxolan-3-yl]acetamide
CID 126451194
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
(E)-4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-oxobut-2-enoic acid
CID 115177230
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
CID 82496307
4-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzamide
CID 110787047
5-bromo-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)furan-2-carboxamide
CID 110795017
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(3-methoxyphenyl)acetamide
CID 110787098
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185352

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide (CID 115167217) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide is O=C(CS)NCc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide?
The InChIKey is XSRXJDXNDXEVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(7-15)12-6-8-1-2-10-9(5-8)3-4-14-10/h1-2,5,15H,3-4,6-7H2,(H,12,13).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide has a molecular weight of 223.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide is sourced from PubChem (CID 115167217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).