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

C22H26N2O3S — CID 51273599

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCc2ccccc21
InChIInChI=1S/C22H26N2O3S/c25-22(23-21-13-10-18-6-2-3-7-20(18)21)16-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24/h2-3,6-9,11-12,21H,1,4-5,10,13-16H2,(H,23,25)
InChIKeyYHDZSKNLSVKMBU-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.21
Rot. Bonds5

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

N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 51273599) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID51273599
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCc2ccccc21
InChIInChI=1S/C22H26N2O3S/c25-22(23-21-13-10-18-6-2-3-7-20(18)21)16-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24/h2-3,6-9,11-12,21H,1,4-5,10,13-16H2,(H,23,25)
InChIKeyYHDZSKNLSVKMBU-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166905
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 1166907
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
N-(2,3-dihydro-1H-inden-1-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 655689
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41167076
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918968
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4781261
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 51273599) is N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CCc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YHDZSKNLSVKMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(23-21-13-10-18-6-2-3-7-20(18)21)16-17-8-11-19(12-9-17)28(26,27)24-14-4-1-5-15-24/h2-3,6-9,11-12,21H,1,4-5,10,13-16H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 398.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 51273599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).