N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C18H27N3O6S2 — CID 30256714

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O6S2/c1-28(23,24)21(15-18(22)19-9-3-2-4-10-19)16-5-7-17(8-6-16)29(25,26)20-11-13-27-14-12-20/h5-8H,2-4,9-15H2,1H3
InChIKeyFUJGBRANHBPDHH-UHFFFAOYSA-N
MW445.56 g/mol
LogP0.49
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 30256714) has the molecular formula C18H27N3O6S2 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID30256714
Molecular FormulaC18H27N3O6S2
Molecular Weight445.56 g/mol
Exact Mass445.13
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O6S2/c1-28(23,24)21(15-18(22)19-9-3-2-4-10-19)16-5-7-17(8-6-16)29(25,26)20-11-13-27-14-12-20/h5-8H,2-4,9-15H2,1H3
InChIKeyFUJGBRANHBPDHH-UHFFFAOYSA-N
XLogP0.49
TPSA104.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 30256622
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43899732
N-(4-bromophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 1097974
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[4-(diethylamino)phenyl]methanesulfonamide
CID 113156241
N-[4-(diethylamino)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156219
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 43901468
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(4-morpholin-4-ylsulfonylphenyl)methanesulfonamide
CID 43900265
N-(2-morpholin-4-yl-2-oxoethyl)-N-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 50944502
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 113156552
N-(4-chlorophenyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30259197
N-(3-methylbutyl)-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 30269941
N,N-dimethyl-4-[methylsulfonyl-(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 30256695

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 30256714) is N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is FUJGBRANHBPDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6S2/c1-28(23,24)21(15-18(22)19-9-3-2-4-10-19)16-5-7-17(8-6-16)29(25,26)20-11-13-27-14-12-20/h5-8H,2-4,9-15H2,1H3.
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 445.56 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 30256714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).