N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

C22H26N2O3S — CID 74238551

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c25-22(16-18-11-10-17-6-4-5-9-21(17)18)23-19-12-14-24(15-13-19)28(26,27)20-7-2-1-3-8-20/h1-9,18-19H,10-16H2,(H,23,25)
InChIKeyXFNRAEBBMPHLFU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.08
Rot. Bonds5

About N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide

N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 74238551) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID74238551
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESO=C(CC1CCc2ccccc21)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3S/c25-22(16-18-11-10-17-6-4-5-9-21(17)18)23-19-12-14-24(15-13-19)28(26,27)20-7-2-1-3-8-20/h1-9,18-19H,10-16H2,(H,23,25)
InChIKeyXFNRAEBBMPHLFU-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99955335
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
CID 86955219
1-(1-cyclopropylsulfonylpiperidin-4-yl)-3-(2,3-dihydro-1H-inden-1-ylmethyl)urea
CID 126776766
2-[(1R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylacetamide
CID 93076098
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
CID 50984766
2-[(1R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopentylacetamide
CID 92700154
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95769926
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
2-[(1R)-2-(4-acetamidophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylacetamide
CID 93076225
N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74233149

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 74238551) is N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is O=C(CC1CCc2ccccc21)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is XFNRAEBBMPHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(16-18-11-10-17-6-4-5-9-21(17)18)23-19-12-14-24(15-13-19)28(26,27)20-7-2-1-3-8-20/h1-9,18-19H,10-16H2,(H,23,25).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 74238551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).