N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C18H20N2O4S — CID 24637643

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)19-12-18(21)20-15-6-5-13-3-2-4-14(13)11-15/h5-11,19H,2-4,12H2,1H3,(H,20,21)
InChIKeyJWCIIXXSFIGWNE-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.10
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 24637643) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID24637643
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)19-12-18(21)20-15-6-5-13-3-2-4-14(13)11-15/h5-11,19H,2-4,12H2,1H3,(H,20,21)
InChIKeyJWCIIXXSFIGWNE-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 24637643) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is JWCIIXXSFIGWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-7-9-17(10-8-16)25(22,23)19-12-18(21)20-15-6-5-13-3-2-4-14(13)11-15/h5-11,19H,2-4,12H2,1H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 360.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24637643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).