N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

C24H27ClN2O5S — CID 42927570

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c2c1C(C)CC2=O
InChIInChI=1S/C24H27ClN2O5S/c1-15-6-9-20(24-19(28)12-16(2)23(15)24)32-14-22(29)26-17-7-8-18(25)21(13-17)33(30,31)27-10-4-3-5-11-27/h6-9,13,16H,3-5,10-12,14H2,1-2H3,(H,26,29)
InChIKeyFKUNDWDUIUIKOK-UHFFFAOYSA-N
MW491.01 g/mol
LogP4.53
Rot. Bonds6

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (PubChem CID 42927570) has the molecular formula C24H27ClN2O5S and a molecular weight of 491.01 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
PubChem CID42927570
Molecular FormulaC24H27ClN2O5S
Molecular Weight491.01 g/mol
Exact Mass490.13
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c2c1C(C)CC2=O
InChIInChI=1S/C24H27ClN2O5S/c1-15-6-9-20(24-19(28)12-16(2)23(15)24)32-14-22(29)26-17-7-8-18(25)21(13-17)33(30,31)27-10-4-3-5-11-27/h6-9,13,16H,3-5,10-12,14H2,1-2H3,(H,26,29)
InChIKeyFKUNDWDUIUIKOK-UHFFFAOYSA-N
XLogP4.53
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl)oxy]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 42952442
3-[[2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetyl]amino]-N-methylbenzamide
CID 24582188
2-[[(1R)-7-chloro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 39087137
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
2-(4-chloro-3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 3543964
N-(4-acetamidophenyl)-2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 92647741
N-(3,4-dimethylphenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394212
2-(2-hydroxyphenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8933983
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-methylsulfonylphenoxy)acetamide
CID 55358975
3,4-dimethyl-7-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethoxy]-2,3-dihydroinden-1-one
CID 47015857
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8623314
N-(3,5-dichlorophenyl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 126394235

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide (CID 42927570) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c2c1C(C)CC2=O.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
The InChIKey is FKUNDWDUIUIKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O5S/c1-15-6-9-20(24-19(28)12-16(2)23(15)24)32-14-22(29)26-17-7-8-18(25)21(13-17)33(30,31)27-10-4-3-5-11-27/h6-9,13,16H,3-5,10-12,14H2,1-2H3,(H,26,29).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide has a molecular weight of 491.01 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxy]acetamide is sourced from PubChem (CID 42927570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).