N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide

C13H18N2O3S — CID 26943012

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2O3S/c1-10(16)14-7-8-15-19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyWWBAQYPKKKYGBA-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.59
Rot. Bonds5

About N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide

N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide (PubChem CID 26943012) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
PubChem CID26943012
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C13H18N2O3S/c1-10(16)14-7-8-15-19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyWWBAQYPKKKYGBA-UHFFFAOYSA-N
XLogP0.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24550352
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
N-(4-chloropentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106135464
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 76953193
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-(3-butoxypropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 32937376
N-[2-(2-methoxyethylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120717803
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-(2-aminopropyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 55230484

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide (CID 26943012) is N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide?
The InChIKey is WWBAQYPKKKYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-10(16)14-7-8-15-19(17,18)13-6-5-11-3-2-4-12(11)9-13/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide?
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 26943012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).