N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide

C17H23N3O4S — CID 17440161

IUPACN-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H23N3O4S/c1-13(21)18-12-17(22)19-7-9-20(10-8-19)25(23,24)16-6-5-14-3-2-4-15(14)11-16/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,21)
InChIKeyKVYKJRGQXYNKEB-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.14
Rot. Bonds4

About N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 17440161) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID17440161
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C17H23N3O4S/c1-13(21)18-12-17(22)19-7-9-20(10-8-19)25(23,24)16-6-5-14-3-2-4-15(14)11-16/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,21)
InChIKeyKVYKJRGQXYNKEB-UHFFFAOYSA-N
XLogP0.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)acetamide
CID 11414131
2-Ethylamido-5-sulfonamidoindane
CID 11543564
1-[(2,3-Dihydro-1H-inden-5-yl)sulfonyl]piperazine
CID 2443018
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
4-(Toluene-4-sulfonyl)-piperazine-2,6-dione
CID 726641
4-(4-Tert-butylphenylsulfonyl)piperazin-2-one
CID 2465157
2-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4834443
2-chloro-1-[4-(2,3-dihydro-1H-indene-5-sulfonyl)piperazin-1-yl]ethan-1-one
CID 7131063
2-methylpropyl 4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine-1-carboxylate
CID 9116152
N1-cyclopentyl-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 18574364
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 24819910
N-Methyl-N'-{2-[4-(naphthalene-2-sulfonyl)-piperazin-1-yl]-ethyl}-oxalamide
CID 3150874

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 17440161) is N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is KVYKJRGQXYNKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-13(21)18-12-17(22)19-7-9-20(10-8-19)25(23,24)16-6-5-14-3-2-4-15(14)11-16/h5-6,11H,2-4,7-10,12H2,1H3,(H,18,21).
What are the key properties of N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 365.46 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 17440161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).