N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide

C20H21NO2S — CID 56822012

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO2S/c1-24(23)17-11-6-15(7-12-17)20(22)21(16-9-10-16)19-13-8-14-4-2-3-5-18(14)19/h2-7,11-12,16,19H,8-10,13H2,1H3
InChIKeyIIMWHFNAISNCMD-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.72
Rot. Bonds4

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide (PubChem CID 56822012) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide
PubChem CID56822012
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide
SMILESCS(=O)c1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H21NO2S/c1-24(23)17-11-6-15(7-12-17)20(22)21(16-9-10-16)19-13-8-14-4-2-3-5-18(14)19/h2-7,11-12,16,19H,8-10,13H2,1H3
InChIKeyIIMWHFNAISNCMD-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide (CID 56822012) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide is CS(=O)c1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide?
The InChIKey is IIMWHFNAISNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-24(23)17-11-6-15(7-12-17)20(22)21(16-9-10-16)19-13-8-14-4-2-3-5-18(14)19/h2-7,11-12,16,19H,8-10,13H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide is sourced from PubChem (CID 56822012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).