N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide

C19H22N2O4S — CID 58688842

IUPACN-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(=O)CC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)20-16-4-8-19(9-5-16)25-18-6-2-15(3-7-18)14-21-12-10-17(22)11-13-21/h2-9,20H,10-14H2,1H3
InChIKeyZAANTRNJWWEXKC-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.02
Rot. Bonds6

About N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide

N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide (PubChem CID 58688842) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
PubChem CID58688842
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(=O)CC3)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)20-16-4-8-19(9-5-16)25-18-6-2-15(3-7-18)14-21-12-10-17(22)11-13-21/h2-9,20H,10-14H2,1H3
InChIKeyZAANTRNJWWEXKC-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[[4-(butylamino)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 58688850
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 67037712
1-cyclohexyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67037946
N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
1,3-diethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67037814
1-(4-hydroxyphenyl)-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038572
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
CID 67038164
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
CID 1269047
4-[[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]carbamoylamino]benzoic acid
CID 67038828
3-tert-butyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-1-propylurea
CID 67037854
N-[4-[4-[[4-(2-oxo-3-phenyl-6-propyl-1,3-diazinan-1-yl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 23110563

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide (CID 58688842) is N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(=O)CC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide?
The InChIKey is ZAANTRNJWWEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)20-16-4-8-19(9-5-16)25-18-6-2-15(3-7-18)14-21-12-10-17(22)11-13-21/h2-9,20H,10-14H2,1H3.
What are the key properties of N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide?
N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 58688842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).