N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide

C16H24N2O3S — CID 9189120

IUPACN-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)17-15(19)11-18(4)22(20,21)14-9-8-12-6-5-7-13(12)10-14/h8-10H,5-7,11H2,1-4H3,(H,17,19)
InChIKeyJYMWDMMZSPJGRY-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.71
Rot. Bonds4

About N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide

N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 9189120) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID9189120
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O3S/c1-16(2,3)17-15(19)11-18(4)22(20,21)14-9-8-12-6-5-7-13(12)10-14/h8-10H,5-7,11H2,1-4H3,(H,17,19)
InChIKeyJYMWDMMZSPJGRY-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
N-((2R)-5-(aminosulfonyl)-2,3-dihydro-1H-inden-2-yl)-2-propylpentanamide
CID 23653514
2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)pentanamide
CID 11537386
2-Nonylamido-5-sulfonamidoindane
CID 11660633
2-Butylamido-5-sulfonamidoindane
CID 11529486
2-Propylamido-5-sulfonamidoindane
CID 11536481
2-Ethylamido-5-sulfonamidoindane
CID 11543564
N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4835550
2-Butyl-hexanoic acid (5-sulfamoyl-indan-2-yl)-amide
CID 44395811
N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2530004
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxamide
CID 9268561

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide (CID 9189120) is N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is JYMWDMMZSPJGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-16(2,3)17-15(19)11-18(4)22(20,21)14-9-8-12-6-5-7-13(12)10-14/h8-10H,5-7,11H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide?
N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2,3-dihydro-1H-inden-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 9189120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).