2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide

C18H20N2O4S — CID 47092045

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O4S/c1-20(24-2)18(21)16-8-3-4-9-17(16)19-25(22,23)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,19H,5-7H2,1-2H3
InChIKeyGQPOMMAPWSXNEB-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.61
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide

2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide (PubChem CID 47092045) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
PubChem CID47092045
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H20N2O4S/c1-20(24-2)18(21)16-8-3-4-9-17(16)19-25(22,23)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,19H,5-7H2,1-2H3
InChIKeyGQPOMMAPWSXNEB-UHFFFAOYSA-N
XLogP2.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)benzoate
CID 4793271
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 8843607
methyl 2-(3,4-dihydro-2H-chromen-6-ylsulfonylamino)benzoate
CID 110705670
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
N-[2-[methyl(methylsulfonyl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113093539
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8843752
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 8843753
4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N,N-dimethylbenzamide
CID 24580864
N-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807428
3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]propanamide
CID 60534328
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide (CID 47092045) is 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide?
The InChIKey is GQPOMMAPWSXNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-20(24-2)18(21)16-8-3-4-9-17(16)19-25(22,23)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,19H,5-7H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide?
2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 47092045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).