2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

C15H21FN2O3S — CID 97101391

IUPAC2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O3S/c1-2-3-9-22(20,21)17-10-15(19)18-14-8-7-11-12(14)5-4-6-13(11)16/h4-6,14,17H,2-3,7-10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyXGRWKTBKFPIBPW-CQSZACIVSA-N
MW328.41 g/mol
LogP1.65
Rot. Bonds7

About 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 97101391) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID97101391
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C15H21FN2O3S/c1-2-3-9-22(20,21)17-10-15(19)18-14-8-7-11-12(14)5-4-6-13(11)16/h4-6,14,17H,2-3,7-10H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyXGRWKTBKFPIBPW-CQSZACIVSA-N
XLogP1.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]propanamide
CID 96538056
3-ethylsulfonyl-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
CID 97248736
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(2-fluoro-4-hydroxyphenyl)acetamide
CID 171674177
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975454
(2R)-2-amino-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119302149
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
N-[(2R)-4-[[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95771818
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentanoic acid
CID 83069027
1-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-3-(2-methylcyclohexyl)urea
CID 86838302
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
N-[(1R,2S)-5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(methylsulfamoyl)acetamide
CID 96967900
N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-3-carboxamide
CID 142729745

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (CID 97101391) is 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is CCCCS(=O)(=O)NCC(=O)N[C@@H]1CCc2c(F)cccc21.
What is the InChIKey of 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is XGRWKTBKFPIBPW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-2-3-9-22(20,21)17-10-15(19)18-14-8-7-11-12(14)5-4-6-13(11)16/h4-6,14,17H,2-3,7-10H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-N-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 97101391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).