N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide

C21H27N3O5S2 — CID 133187649

IUPACN-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)N(C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H27N3O5S2/c1-17-9-11-19(12-10-17)31(28,29)24-15-13-23(14-16-24)21(25)20(22(2)30(3,26)27)18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3
InChIKeyUNNRMBPPSYTGMF-UHFFFAOYSA-N
MW465.60 g/mol
LogP1.46
Rot. Bonds6

About N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide

N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide (PubChem CID 133187649) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
PubChem CID133187649
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC NameN-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)N(C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C21H27N3O5S2/c1-17-9-11-19(12-10-17)31(28,29)24-15-13-23(14-16-24)21(25)20(22(2)30(3,26)27)18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3
InChIKeyUNNRMBPPSYTGMF-UHFFFAOYSA-N
XLogP1.46
TPSA95.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]methanesulfonamide
CID 125054281
N-methyl-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 133161882
N-methyl-N-[2-oxo-1-phenyl-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 133184784
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 125060490
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-phenylethyl]-N-methylmethanesulfonamide
CID 133210680
(2S)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-phenylpentan-1-one
CID 41081879
4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97143263
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
CID 131889644
2-[benzyl(methyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 27133695
2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337932
(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]acetamide
CID 125072002

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide (CID 133187649) is N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(c3ccccc3)N(C)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
The InChIKey is UNNRMBPPSYTGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-17-9-11-19(12-10-17)31(28,29)24-15-13-23(14-16-24)21(25)20(22(2)30(3,26)27)18-7-5-4-6-8-18/h4-12,20H,13-16H2,1-3H3.
What are the key properties of N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide?
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide has a molecular weight of 465.60 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide is sourced from PubChem (CID 133187649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).