N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide

C19H22N2O3S — CID 154999224

IUPACN-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)20-14-15-5-4-6-17(13-15)16-8-10-18(11-9-16)21-12-3-2-7-19(21)22/h4-6,8-11,13,20H,2-3,7,12,14H2,1H3
InChIKeyVYUMDGLFKOJKSS-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.92
Rot. Bonds5

About N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide

N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide (PubChem CID 154999224) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide
PubChem CID154999224
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)20-14-15-5-4-6-17(13-15)16-8-10-18(11-9-16)21-12-3-2-7-19(21)22/h4-6,8-11,13,20H,2-3,7,12,14H2,1H3
InChIKeyVYUMDGLFKOJKSS-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[6-(2-oxopiperidin-1-yl)-3-pyridinyl]phenyl]methyl]methanesulfonamide
CID 154999229
1-[4-(3-methylphenyl)phenyl]piperidin-2-one
CID 156557854
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[4-[3-(methanesulfonamidomethyl)phenyl]phenyl]-2-oxopiperidin-3-yl]urea
CID 129227154
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99599483
1-[4-[(3-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 43232057
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
N-[[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]methyl]-1-methyl-4,5-dioxopyrrolidine-3-carboxamide
CID 123553021
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide (CID 154999224) is N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(-c2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide?
The InChIKey is VYUMDGLFKOJKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)20-14-15-5-4-6-17(13-15)16-8-10-18(11-9-16)21-12-3-2-7-19(21)22/h4-6,8-11,13,20H,2-3,7,12,14H2,1H3.
What are the key properties of N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide?
N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-oxopiperidin-1-yl)phenyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 154999224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).