2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C21H24N2O4S — CID 86955219

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O4S/c24-21(14-17-9-8-16-4-1-2-7-20(16)17)22-18-5-3-6-19(15-18)28(25,26)23-10-12-27-13-11-23/h1-7,15,17H,8-14H2,(H,22,24)
InChIKeyMWDRPTWMUDWRCV-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 86955219) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID86955219
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CC1CCc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H24N2O4S/c24-21(14-17-9-8-16-4-1-2-7-20(16)17)22-18-5-3-6-19(15-18)28(25,26)23-10-12-27-13-11-23/h1-7,15,17H,8-14H2,(H,22,24)
InChIKeyMWDRPTWMUDWRCV-UHFFFAOYSA-N
XLogP2.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[3-(azepan-1-ylsulfonyl)phenyl]acetamide
CID 55414196
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
N-(3-morpholin-4-ylsulfonylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119934956
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
2-(4-aminophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 119671802
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
3-amino-N-(3-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide;hydrochloride
CID 119948702
methyl-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9260898
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55414000
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 8008010

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 86955219) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CC1CCc2ccccc21)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is MWDRPTWMUDWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-21(14-17-9-8-16-4-1-2-7-20(16)17)22-18-5-3-6-19(15-18)28(25,26)23-10-12-27-13-11-23/h1-7,15,17H,8-14H2,(H,22,24).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.77, 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-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 86955219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).