2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide

C17H27N3O6S2 — CID 55967104

IUPAC2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C17H27N3O6S2/c1-13(2)26-16-8-6-14(7-9-16)19-28(24,25)12-17(21)20-10-4-5-15(11-20)18-27(3,22)23/h6-9,13,15,18-19H,4-5,10-12H2,1-3H3
InChIKeyNNRFFSAEPGUDDA-UHFFFAOYSA-N
MW433.55 g/mol
LogP0.76
Rot. Bonds8

About 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide

2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide (PubChem CID 55967104) has the molecular formula C17H27N3O6S2 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
PubChem CID55967104
Molecular FormulaC17H27N3O6S2
Molecular Weight433.55 g/mol
Exact Mass433.13
IUPAC Name2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1
InChIInChI=1S/C17H27N3O6S2/c1-13(2)26-16-8-6-14(7-9-16)19-28(24,25)12-17(21)20-10-4-5-15(11-20)18-27(3,22)23/h6-9,13,15,18-19H,4-5,10-12H2,1-3H3
InChIKeyNNRFFSAEPGUDDA-UHFFFAOYSA-N
XLogP0.76
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide with MolForge

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Related Compounds

2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
5-methyl-1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidine-3-carboxylic acid
CID 122118589
2-methyl-N-[1-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]piperidin-4-yl]benzamide
CID 55962836
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide;hydrochloride
CID 120808278
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
2-[(4-propan-2-yloxyphenyl)sulfamoyl]-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119451342
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
N-[1-[2-(2-methylthiophen-3-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 154838972
2-iodo-N-[2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 55841424
N-[1-[2-(2-methylpropoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 47187880
cis-(1R,3S)-3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120677637

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The IUPAC name of 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide (CID 55967104) is 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCCC(NS(C)(=O)=O)C2)cc1.
What is the InChIKey of 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
The InChIKey is NNRFFSAEPGUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O6S2/c1-13(2)26-16-8-6-14(7-9-16)19-28(24,25)12-17(21)20-10-4-5-15(11-20)18-27(3,22)23/h6-9,13,15,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide?
2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide has a molecular weight of 433.55 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)piperidin-1-yl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide is sourced from PubChem (CID 55967104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).